data_1ne3_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 1ne3 _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 ' 5' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.44 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 43' ' ' VAL . 28.5 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.502 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 ' CG ' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.455 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.504 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.504 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.494 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.483 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 39' ' ' LEU . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.481 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.411 ' C ' HD21 ' A' ' 55' ' ' LEU . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.629 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 11' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' NE ' ' HA2' ' A' ' 36' ' ' GLY . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.476 ' N ' ' HB ' ' A' ' 29' ' ' ILE . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.485 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.579 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.461 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.53 0.205 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.41 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.41 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.618 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.5 p-10 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.436 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.579 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.606 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.57 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.61 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 43' ' ' VAL . 2.0 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.48 ' O ' ' CG2' ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.61 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' CB ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.521 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 9' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' GLU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.5 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.6 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.486 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' CG ' ' CD1' ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.619 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CB ' HG22 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.638 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.539 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 2.4 tmm? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.521 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.539 ' N ' ' HG2' ' A' ' 23' ' ' MET . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' GLU . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.483 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.638 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 55' ' ' LEU . 1.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.577 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.522 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.563 0.221 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.509 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' HG23 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.501 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.481 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.516 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.45 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 9' ' ' VAL . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.573 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.508 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 38' ' ' ILE . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.44 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.573 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 55' ' ' LEU . 2.9 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.619 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.553 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.603 ' CD1' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 11' ' ' GLU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CG ' HG13 ' A' ' 38' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 39' ' ' LEU . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.51 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.619 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.439 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.501 ' OE1' ' CD1' ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.503 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.629 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.629 ' N ' ' HG2' ' A' ' 23' ' ' MET . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.5 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD1' ' OE1' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' HD21 ' A' ' 13' ' ' LEU . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 7' ' ' ALA . 1.5 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.61 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' N ' ' A' ' 26' ' ' LYS . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.542 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.518 0.199 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' CG2' ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' O ' HG13 ' A' ' 29' ' ' ILE . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.492 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' OD2' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD11 ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.602 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 5' ' ' THR . 2.4 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.5 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.183 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 11' ' ' GLU . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.622 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.477 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 25' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.468 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.479 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.634 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.609 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 9' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 11' ' ' GLU . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' ' 9' ' ' VAL . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.609 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.431 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 7' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 55' ' ' LEU . 88.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 29' ' ' ILE . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.597 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.645 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.513 ' CG1' ' CD2' ' A' ' 53' ' ' LEU . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.458 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.487 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.516 HD13 ' CG2' ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.487 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.645 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 43' ' ' VAL . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.597 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CB ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' CD2' ' CG1' ' A' ' 25' ' ' VAL . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.486 ' CG2' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.497 ' OE1' ' CD1' ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.61 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.468 ' HE3' ' O ' ' A' ' 45' ' ' GLY . 3.3 tmm? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.539 0.209 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 9' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' GLU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 HG13 ' CB ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' ' OE1' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.503 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.503 ' C ' ' OD1' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.529 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.617 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.655 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.539 0.209 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.556 ' HG3' ' CD2' ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 38' ' ' ILE . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' O ' HG13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CG2' ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.463 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' MET . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.505 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -86.55 -25.33 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.28 -65.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -98.94 147.29 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -97.51 145.23 29.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.502 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.48 ' CG ' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' HD3' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.29 109.97 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' HD3' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.93 119.71 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 105.75 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m 67.82 169.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.74 -119.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.6 113.13 19.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -145.63 54.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.26 -104.06 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -178.14 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 t -117.66 144.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 43' ' ' VAL . 28.5 ttp -96.65 140.75 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.502 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD12 ' CG ' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.455 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.472 ' CG2' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.504 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.504 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.502 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.502 ' CD2' ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? -102.13 108.38 19.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 2.5 tm? -104.82 135.63 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.506 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 6.7 p-10 -56.64 122.42 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 t -90.94 131.47 36.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tp -93.37 132.92 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.8 129.56 36.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.53 147.74 22.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.3 137.1 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 127.5 41.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.3 139.36 38.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 pt -98.34 131.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -107.22 119.46 39.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 34.2 p -103.26 147.48 34.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -22.95 51.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -44.85 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -90.26 145.79 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -97.94 146.27 31.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.483 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.496 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.566 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -107.71 108.9 20.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CE ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.19 135.81 45.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 144.49 51.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -123.24 119.75 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.51 58.33 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 76.41 -55.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -93.56 116.88 29.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.86 94.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -115.76 -54.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 44' ' ' MET . 32.4 t -116.35 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -103.82 159.76 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.476 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 39' ' ' LEU . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.481 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.433 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.632 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -100.04 110.47 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.31 140.64 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -55.68 122.56 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 m -95.68 127.66 41.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -85.98 129.97 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.239 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.12 144.19 47.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -100.36 128.47 46.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.37 125.19 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 121.7 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.8 pt-20 -104.0 116.92 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.6 mt -97.98 116.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -70.06 122.09 18.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.9 p -98.93 147.41 33.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -32.8 15.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -55.55 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -106.13 145.56 31.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.88 141.54 23.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.629 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 11' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG2' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 HD21 ' CG2' ' A' ' 40' ' ' THR . 0.0 OUTLIER -108.03 108.95 20.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.59 148.72 52.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 137.2 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.12 -55.78 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.75 152.39 0.62 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.1 mtm 60.8 158.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -50.35 -59.93 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.11 -71.48 2.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.31 -63.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 44' ' ' MET . 31.1 t -108.75 130.26 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -116.56 159.26 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' NE ' ' HA2' ' A' ' 36' ' ' GLY . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' N ' ' HB ' ' A' ' 29' ' ' ILE . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.485 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.484 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.468 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -98.9 110.86 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tp -103.47 139.72 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.7 122.94 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -72.32 133.26 44.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.92 136.7 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.38 154.25 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 151.0 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.07 132.65 36.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -96.07 125.12 40.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.58 139.05 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -84.43 126.11 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 118.82 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -88.11 147.51 40.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.535 1.808 . . . . 0.0 111.05 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.452 0.167 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -82.36 -34.75 28.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -116.45 145.71 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -98.58 142.62 24.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.579 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -104.15 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 138.88 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -106.45 127.87 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 m -82.23 133.8 35.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.35 -121.77 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 110.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -105.16 81.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.85 -63.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.1 170.6 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.4 m -82.81 144.78 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -86.74 159.41 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.41 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' O ' ' CG2' ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.41 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.618 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 2.5 p-10 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' CD2' ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.503 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -100.35 110.4 22.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tp -103.95 140.77 37.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.67 122.45 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.55 122.86 35.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 tp -106.49 134.32 48.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -90.52 150.37 21.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 139.69 33.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.98 138.46 39.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.86 121.05 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.51 138.28 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 tt -79.43 130.66 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -76.59 141.01 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 76.5 p -120.03 147.48 44.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.48 0.181 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 39.7 m-20 -79.8 -30.23 40.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 157.28 -65.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -92.59 144.79 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.98 141.64 23.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.579 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -106.28 108.49 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.59 126.67 29.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.239 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.2 133.18 43.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -107.34 128.6 54.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . 134.39 129.34 2.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 80.59 -67.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -124.14 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.77 79.84 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.44 -66.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.21 140.61 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -122.22 157.33 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.473 HD13 ' CG ' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.606 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.592 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD23 ' CB ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -101.19 109.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 3.2 tm? -105.25 139.04 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.496 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -56.74 122.76 12.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.5 t -91.95 135.75 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.49 123.61 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 150.14 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.56 146.37 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.4 139.95 46.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.22 137.59 32.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 148.77 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 pt -96.68 134.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -107.92 129.27 55.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 32.8 p -106.88 147.43 35.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.513 1.797 . . . . 0.0 110.98 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -88.14 -33.98 18.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -50.15 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' CB ' ' SD ' ' A' ' 54' ' ' MET . . . -107.34 144.45 34.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -99.16 143.88 27.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.57 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.526 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.61 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.51 111.57 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' CE ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -133.12 135.34 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.25 111.64 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -53.17 140.86 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.19 60.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ttm 56.28 57.99 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p 44.07 -165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.91 143.21 9.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -43.1 -59.07 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 37.4 t -118.93 144.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.48 ' O ' ' O ' ' A' ' 43' ' ' VAL . 2.0 tmm? -108.09 137.66 45.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.48 ' O ' ' CG2' ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.493 ' HA ' ' CG2' ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 39' ' ' LEU . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.61 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' CB ' HG22 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 4' ' ' ALA . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -101.24 110.49 22.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 3.1 tm? -103.45 140.23 37.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -55.27 123.19 12.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m -91.3 129.95 37.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -79.29 128.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 146.49 25.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -92.93 139.27 30.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.62 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 127.41 33.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.83 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.23 150.72 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.6 p -122.51 147.69 50.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.439 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.72 -32.17 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 172.96 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.523 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -86.13 142.71 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.6 OUTLIER -100.66 146.88 32.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -105.79 108.59 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 155.83 47.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m 66.25 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.435 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.54 -84.67 0.26 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -170.43 124.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -158.09 137.05 11.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.69 -117.2 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 13.5 pt-20 -156.97 -44.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 42' ' ' ASN . 13.2 t -118.19 143.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp -106.8 143.9 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.521 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' CG2' HG12 ' A' ' 9' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 11' ' ' GLU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.512 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.5 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.504 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.52 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.6 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.486 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.486 ' CD2' ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.523 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.615 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -101.32 110.63 22.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -105.63 145.18 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.22 122.32 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -83.64 121.14 26.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mt -83.16 123.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -72.11 149.63 44.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 150.18 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.87 132.4 41.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 122.33 42.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.09 146.36 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mt -94.18 132.55 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.4 143.93 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.7 p -106.26 147.55 35.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.359 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.48 0.181 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.45 -29.81 37.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.72 -41.3 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -118.4 145.19 45.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.19 141.47 22.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.464 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' CG ' ' CD1' ' A' ' 30' ' ' LEU . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.619 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CB ' HG22 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.638 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -107.8 114.45 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -126.06 128.75 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -128.24 101.95 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' MET . 4.1 m 39.52 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.18 87.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 179.41 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -78.29 128.23 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 176.92 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -109.71 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.512 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 1.7 m -113.27 144.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.539 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 2.4 tmm? -84.1 142.22 30.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.539 ' N ' ' HG2' ' A' ' 23' ' ' MET . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' GLU . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.493 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.483 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 39' ' ' LEU . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.638 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.512 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 2.4 m-80 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.536 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.616 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' CB ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.54 110.58 22.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 2.9 tm? -104.23 139.09 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.1 p-10 -57.21 122.64 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -94.53 122.96 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.2 138.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.27 149.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.37 144.9 31.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.32 143.92 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 126.76 31.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.55 132.78 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.6 pt -89.5 135.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -71.6 135.19 46.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.7 p -94.59 147.66 33.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.421 1.748 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.86 -170.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -99.21 145.52 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.508 ' HB ' ' HB2' ' A' ' 55' ' ' LEU . 1.6 m -96.48 128.98 34.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 28' ' ' ARG . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.577 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.522 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.93 109.63 21.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 137.69 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.69 126.09 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -69.26 84.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.92 148.29 4.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.96 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -97.6 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.58 -152.16 22.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -141.84 -47.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 44' ' ' MET . 37.4 t -118.48 133.89 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -118.06 158.58 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.509 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' HG23 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.501 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 39' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.481 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.516 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.577 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.45 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CG2' ' A' ' 9' ' ' VAL . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.655 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -93.12 109.77 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 2.7 tm? -103.65 141.52 35.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.1 p-10 -53.24 122.3 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.428 ' CG2' HD22 ' A' ' 39' ' ' LEU . 11.8 p -96.39 114.6 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.427 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.4 mt -72.12 121.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.22 155.96 23.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 148.48 45.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.07 124.31 40.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -99.09 124.82 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.58 148.19 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.26 120.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.92 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 p -109.31 147.52 36.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.474 0.178 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' ALA . 4.3 t70 -103.65 -7.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.29 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -123.97 147.2 47.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 HG21 HD11 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -97.9 131.1 27.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.573 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -105.67 107.62 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 139.92 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.99 38.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m 57.15 105.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.9 147.7 50.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.8 mmt 56.31 56.64 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -102.78 -2.39 28.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.96 84.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 179.61 -164.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 25.4 t -99.59 127.44 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -114.29 158.51 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.508 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.484 HG12 ' CD2' ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' HD11 ' A' ' 38' ' ' ILE . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.44 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 2.7 m120 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.573 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.612 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 55' ' ' LEU . 2.9 mp -100.95 110.83 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tp -98.36 139.94 33.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.31 122.75 11.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -82.97 124.94 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.5 mm -76.76 139.58 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -86.1 123.39 31.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -96.69 136.66 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.61 143.3 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.82 124.52 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.58 156.49 16.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.79 140.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -95.22 136.83 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 54.9 p -86.43 147.51 44.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.513 0.197 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.3 -31.27 14.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -56.8 -54.59 44.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -121.19 145.03 48.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -98.76 144.69 28.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.619 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.553 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.603 ' CD1' ' HG2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -109.76 103.72 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 136.61 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.1 107.51 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m 59.46 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.8 114.88 4.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mtt -148.66 123.46 9.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m 59.46 156.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.59 106.05 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -132.81 178.12 7.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 44' ' ' MET . 0.2 OUTLIER -99.43 125.65 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.22 160.61 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.063 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.5 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.546 ' N ' ' O ' ' A' ' 11' ' ' GLU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.492 ' CG ' HG13 ' A' ' 38' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' N ' HD22 ' A' ' 39' ' ' LEU . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.51 ' CG2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.463 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.619 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -101.07 110.54 22.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 tp -103.8 139.31 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.83 122.87 13.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 135.01 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.06 135.38 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.27 146.14 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.23 144.79 30.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.26 139.49 39.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 131.65 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -98.06 151.6 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 pt -75.48 139.36 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.38 146.48 48.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.8 p -121.18 147.6 47.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.47 0.176 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -31.35 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.9 -64.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.36 145.47 25.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.446 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -98.87 141.76 23.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' OE1' ' CD1' ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.503 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -102.88 111.1 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.98 124.94 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 121.77 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.4 m 66.59 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.3 119.94 1.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.47 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -76.15 154.49 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.53 -110.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.27 -169.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -93.17 146.55 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.629 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -107.26 145.84 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.629 ' N ' ' HG2' ' A' ' 23' ' ' MET . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.5 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD1' ' OE1' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.429 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.473 ' CG2' HD21 ' A' ' 13' ' ' LEU . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.425 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.44 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.611 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 7' ' ' ALA . 1.5 mm? -100.94 109.6 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -105.26 141.05 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.23 121.74 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -98.76 113.41 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 60' ' ' ARG . 22.6 mt -72.75 142.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -86.7 138.88 31.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.32 139.93 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.33 125.93 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 129.28 35.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -103.24 117.22 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 pt -84.25 133.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.72 123.36 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.6 p -110.71 147.6 36.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.91 -34.12 24.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 -56.72 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.42 ' CB ' ' SD ' ' A' ' 54' ' ' MET . . . -109.73 144.65 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -99.01 143.75 26.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.61 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.579 ' O ' ' N ' ' A' ' 26' ' ' LYS . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.542 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.26 105.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 160.52 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -130.99 114.97 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 t -110.85 152.81 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.15 -77.5 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -134.53 -50.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -106.4 140.76 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.44 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.33 103.32 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.34 -50.97 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.45 140.09 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.18 158.79 28.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' ' CG2' ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' O ' HG13 ' A' ' 29' ' ' ILE . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.492 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' OD2' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD11 ' CG2' ' A' ' 9' ' ' VAL . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.42 ' SD ' ' CB ' ' A' ' 4' ' ' ALA . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -101.54 109.26 21.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -105.21 139.84 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.68 122.96 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 t -73.35 141.85 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -92.44 116.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 125.15 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.87 156.54 17.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 144.38 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.22 120.76 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -104.67 155.26 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -77.5 117.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 119.58 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.8 p -92.32 147.56 34.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.473 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.68 -20.21 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.72 -70.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.571 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -85.09 147.5 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -98.23 137.59 20.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' HB2' HD13 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.602 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -106.14 108.11 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.67 140.72 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -103.15 143.71 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -38.51 -60.07 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.62 -131.17 1.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 ttt 57.37 88.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m 57.74 98.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.71 134.71 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.57 -43.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.5 t -118.24 137.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -112.71 157.04 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CD1' HG22 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.571 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 5' ' ' THR . 2.4 mp -104.38 107.08 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -105.4 146.16 29.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.71 120.06 3.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -94.51 135.29 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 mt -104.49 130.56 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 148.59 49.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -101.1 157.22 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.42 116.62 15.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.57 137.7 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -104.05 148.97 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.77 146.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.98 119.27 32.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -95.33 147.48 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.467 0.175 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -104.97 -27.42 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -59.56 5.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -116.53 146.67 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.4 150.22 36.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.5 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.551 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.438 HG11 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.622 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.74 117.19 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -132.16 120.61 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -92.17 113.66 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m 60.67 158.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.12 61.17 4.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.03 134.12 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -93.06 64.2 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.44 -80.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -166.23 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 26.1 t -114.35 134.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -122.19 159.21 27.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.601 ' N ' ' O ' ' A' ' 11' ' ' GLU . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.622 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 0.6 OUTLIER -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -102.7 109.91 21.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 3.3 tm? -104.25 139.47 39.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 5.3 m-20 -55.67 123.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -83.3 118.65 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.71 126.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.01 129.11 34.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.57 145.05 45.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.79 115.76 23.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -81.85 121.61 26.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.05 134.03 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.08 120.91 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -75.47 123.34 25.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.5 p -93.81 147.52 33.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -26.17 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 -63.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 54' ' ' MET . . . -92.8 146.1 23.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -96.64 151.48 37.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.503 ' CB ' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.588 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -108.23 107.96 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' CE ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.73 132.44 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -125.95 148.52 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m 66.57 -74.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 142.17 -155.18 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.8 mtp -53.8 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m 58.63 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.71 -156.95 20.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.52 -171.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.5 m -86.28 144.06 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -84.33 158.93 21.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.477 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' HB ' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.588 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 25' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.498 ' HA ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -101.87 111.03 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -90.44 139.8 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.72 122.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.48 123.33 41.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' C ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -80.75 120.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -96.64 127.55 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 130.37 41.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.75 135.91 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 126.96 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.85 153.94 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -84.39 129.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.43 124.41 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.7 p -118.66 147.66 42.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -31.71 9.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.39 -66.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -97.59 144.71 26.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.468 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -101.55 142.17 24.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.479 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.634 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.539 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.609 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -108.04 105.86 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 153.24 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.6 116.86 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.1 p -63.8 111.76 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.63 -159.44 38.37 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.4 ttm 61.65 66.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.68 130.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.23 -100.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.31 -178.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.1 m -90.19 144.71 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -88.08 157.54 18.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 9' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' N ' ' O ' ' A' ' 11' ' ' GLU . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' ' 9' ' ' VAL . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.609 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.51 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.497 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.431 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.478 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 7' ' ' ALA . 1.0 OUTLIER -100.73 108.23 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.4 tm? -106.0 141.28 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' HD13 ' A' ' 56' ' ' LEU . 9.3 t70 -52.4 120.59 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.1 t -100.26 109.93 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.94 146.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 136.6 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.08 150.39 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.71 126.82 31.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 120.25 16.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -104.79 138.01 41.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.9 mt -76.98 110.11 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.46 144.25 26.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.3 p -118.97 147.59 42.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpp? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.508 0.194 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -27.95 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.49 -59.85 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -114.04 146.1 40.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.522 ' HB ' ' HB2' ' A' ' 55' ' ' LEU . 88.8 m -96.37 127.13 41.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 29' ' ' ILE . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.597 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 HG13 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.645 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.99 114.28 28.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.97 126.47 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m -51.33 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.72 -136.36 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.45 69.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 0.724 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -174.91 162.37 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 -170.56 44.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -136.28 -53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 2.7 m -99.42 144.53 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -84.99 160.37 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.513 ' CG1' ' CD2' ' A' ' 53' ' ' LEU . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' SG ' ' CD1' ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.487 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.516 HD13 ' CG2' ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' CG ' ' HB3' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.487 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.645 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.463 HG21 ' CG1' ' A' ' 43' ' ' VAL . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.597 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' CB ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' CD2' ' CG1' ' A' ' 25' ' ' VAL . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -99.84 109.56 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 57' ' ' ASP . 3.0 tm? -104.89 139.59 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 80.8 m-20 -69.59 122.41 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.2 t -72.54 126.68 30.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.7 131.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -99.5 155.47 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 136.78 38.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.12 134.48 34.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 124.13 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.38 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.01 145.89 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -97.6 144.01 27.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.3 p -122.98 147.64 51.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.526 0.203 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.66 -34.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.9 -58.8 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -97.16 146.63 24.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CG2' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -97.28 140.14 21.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.497 ' OE1' ' CD1' ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.61 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.527 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -105.02 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.54 130.95 41.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 135.29 52.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -83.38 113.93 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.453 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' MET . . . 119.91 -151.44 17.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 7.8 ptt? 43.41 -167.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -142.04 94.3 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.14 116.53 5.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.3 -50.83 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.583 ' CG1' ' ND2' ' A' ' 42' ' ' ASN . 39.9 t -115.49 143.84 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.468 ' HE3' ' O ' ' A' ' 45' ' ' GLY . 3.3 tmm? -86.4 140.26 30.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.492 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' HG12 ' A' ' 9' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 11' ' ' GLU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 HG13 ' CB ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' CD1' ' OE1' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.503 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.583 ' ND2' ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' CG1' HG23 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.433 ' HG3' ' CG2' ' A' ' 22' ' ' VAL . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.468 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.529 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' C ' ' CD2' ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 4' ' ' ALA . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -99.01 110.12 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -103.58 140.06 38.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -56.07 122.86 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -72.38 131.63 42.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 60' ' ' ARG . 32.0 mm -105.95 140.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -69.87 153.24 43.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -104.95 137.67 42.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.06 127.49 41.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 122.62 24.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.01 147.44 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.47 124.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -95.36 141.46 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.1 p -124.3 147.66 55.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.379 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 -35.05 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.75 162.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.45 ' CB ' ' SD ' ' A' ' 54' ' ' MET . . . -87.31 145.4 26.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.16 141.69 23.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.476 ' CB ' HD23 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.617 ' CG1' ' HA ' ' A' ' 49' ' ' GLU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.655 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' A' ' 49' ' ' GLU . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.655 ' CD1' ' HG3' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -110.31 103.9 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 160.85 37.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.54 117.69 23.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.1 p 43.1 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.25 -172.86 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 100.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -135.93 161.95 34.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.52 -125.14 7.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -143.63 -62.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.37 141.49 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? -98.66 142.4 30.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.556 ' HG3' ' CD2' ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 HG23 ' CG1' ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' HD11 ' A' ' 38' ' ' ILE . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.4 ' O ' HG13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CG2' ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 39' ' ' LEU . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 ' CG2' HD22 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' MET . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.505 ' CD1' ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' CG ' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.45 ' SD ' ' CB ' ' A' ' 4' ' ' ALA . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 HD23 ' CB ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -100.2 109.27 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -105.5 131.29 53.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.21 122.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.17 135.1 33.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.03 136.94 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.46 132.45 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.22 143.95 42.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.85 129.43 37.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -95.45 124.17 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.83 124.22 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 pt -86.27 144.66 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -71.91 139.15 48.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.9 p -103.53 147.62 34.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.893 ' CG2' HD21 ' A' ' 53' ' ' LEU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 28.5 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.618 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 38' ' ' ILE . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HA ' HG22 ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.752 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' HE2' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.675 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.009 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.702 HG22 HD13 ' A' ' 53' ' ' LEU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.697 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.602 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HA ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.927 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD12 ' C ' ' A' ' 38' ' ' ILE . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.902 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 52' ' ' ILE . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.57 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 53' ' ' LEU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.4 ' C ' ' HB3' ' A' ' 49' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.891 ' SG ' HD11 ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.6 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.54 ' O ' HG21 ' A' ' 5' ' ' THR . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HD3' HD21 ' A' ' 39' ' ' LEU . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.718 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.761 HD11 HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.549 ' C ' HD22 ' A' ' 55' ' ' LEU . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.891 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG22 HD11 ' A' ' 53' ' ' LEU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.859 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.53 0.205 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.86 ' SG ' HD11 ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.859 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.883 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.558 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.86 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.94 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' HG3' HD12 ' A' ' 30' ' ' LEU . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.934 ' CG2' HD11 ' A' ' 53' ' ' LEU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.9 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.466 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD12 ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.944 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.9 HG21 ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.01 ' O ' HD13 ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.94 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.845 HG22 HD11 ' A' ' 53' ' ' LEU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 25' ' ' VAL . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.843 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.586 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.0 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.901 ' SG ' HD11 ' A' ' 55' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.614 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG21 ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HD3' ' A' ' 37' ' ' ARG . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.843 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.586 ' H ' ' HE1' ' A' ' 23' ' ' MET . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.53 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.845 HD11 HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.6 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.901 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.896 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 25' ' ' VAL . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.894 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.739 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 5' ' ' THR . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.987 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.987 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.782 HD11 ' OD2' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.782 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.985 ' C ' HD23 ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.592 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.948 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.903 ' CG2' HD11 ' A' ' 53' ' ' LEU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.539 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 2.4 tmm? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.521 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.563 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 9' ' ' VAL . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.68 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.851 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.826 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.695 HD11 ' OD1' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.695 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.044 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.044 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.948 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.017 HG21 HD13 ' A' ' 29' ' ' ILE . 1.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 29' ' ' ILE . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.851 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 25' ' ' VAL . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.563 0.221 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.615 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 53' ' ' LEU . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.866 ' HD3' HD11 ' A' ' 39' ' ' LEU . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.674 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 55' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.707 HD11 ' OD1' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.977 ' C ' HD23 ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 52' ' ' ILE . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.466 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.043 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.858 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.834 ' CG2' HD11 ' A' ' 53' ' ' LEU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.607 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.825 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.825 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.025 HG12 HD22 ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.731 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.817 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.891 ' C ' HD13 ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.025 HD22 HG12 ' A' ' 29' ' ' ILE . 2.9 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.722 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 51' ' ' ASP . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.008 HG13 HG23 ' A' ' 25' ' ' VAL . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.707 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.008 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' HD11 ' A' ' 55' ' ' LEU . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.795 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 37' ' ' ARG . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.591 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.586 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 53' ' ' LEU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.718 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.63 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.798 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.655 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.575 ' HB2' HD23 ' A' ' 53' ' ' LEU . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.514 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD21 HD12 ' A' ' 55' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.54 HD11 ' OD1' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.999 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 54' ' ' MET . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.896 HD12 HD21 ' A' ' 39' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.939 HG22 ' SG ' ' A' ' 27' ' ' CYS . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.901 HG13 HG23 ' A' ' 25' ' ' VAL . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.518 0.199 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 HG13 ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.939 ' SG ' HG22 ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.995 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.995 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.919 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' SG ' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.693 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HG3' HD12 ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.996 ' CG2' HD11 ' A' ' 53' ' ' LEU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.6 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.862 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HB2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD13 HG21 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.796 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.566 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.796 HD11 ' HD3' ' A' ' 37' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.007 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 5' ' ' THR . 2.4 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.892 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.633 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 47' ' ' ILE . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.183 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HD3' HG21 ' A' ' 38' ' ' ILE . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.673 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.823 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.754 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 53' ' ' LEU . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.892 HD23 HG22 ' A' ' 5' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.593 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.754 ' HB2' HD11 ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.806 ' CG2' HD13 ' A' ' 53' ' ' LEU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.907 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.907 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.896 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.806 HD13 ' CG2' ' A' ' 9' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.533 ' HE2' ' H ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.797 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' HG3' HD12 ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.786 ' CG2' HD11 ' A' ' 53' ' ' LEU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 25' ' ' VAL . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HB2' HD23 ' A' ' 53' ' ' LEU . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD12 ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.62 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.692 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.692 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.933 HG21 HD13 ' A' ' 29' ' ' ILE . 88.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.42 ' HE2' ' H ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.731 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD13 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.972 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.972 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.742 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 43' ' ' VAL . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.821 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 52' ' ' ILE . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.519 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.912 HG21 HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' ILE . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HG3' HD12 ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.908 HG22 HD11 ' A' ' 53' ' ' LEU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.844 ' C ' HD13 ' A' ' 13' ' ' LEU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE3' ' O ' ' A' ' 45' ' ' GLY . 3.3 tmm? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.539 0.209 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' HD21 ' A' ' 55' ' ' LEU . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' HG3' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.979 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.979 HD22 ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.659 ' ND2' ' C ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.81 HD11 ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.81 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.962 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.962 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.489 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.804 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.738 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.699 ' CG2' HD13 ' A' ' 53' ' ' LEU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.096 HG13 HG23 ' A' ' 25' ' ' VAL . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.539 0.209 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG3' HD23 ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.096 HG23 HG13 ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 55' ' ' LEU . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 5' ' ' THR . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.706 HG21 ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 37' ' ' ARG . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 44' ' ' MET . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.837 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.837 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD13 ' CG2' ' A' ' 9' ' ' VAL . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.804 HD23 HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -86.55 -25.33 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.28 -65.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -98.94 147.29 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -97.51 145.23 29.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.893 ' CG2' HD21 ' A' ' 53' ' ' LEU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.29 109.97 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD3' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.93 119.71 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 105.75 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m 67.82 169.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.74 -119.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.6 113.13 19.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -145.63 54.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.26 -104.06 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -178.14 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 21' ' ' GLU . 29.9 t -117.66 144.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 28.5 ttp -96.65 140.75 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.618 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 38' ' ' ILE . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HA ' HG22 ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.752 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' HE2' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.675 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.009 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? -102.13 108.38 19.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.5 tm? -104.82 135.63 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.804 ' N ' HD13 ' A' ' 56' ' ' LEU . 6.7 p-10 -56.64 122.42 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 t -90.94 131.47 36.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tp -93.37 132.92 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.8 129.56 36.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.53 147.74 22.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.3 137.1 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 127.5 41.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.3 139.36 38.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 pt -98.34 131.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -107.22 119.46 39.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 34.2 p -103.26 147.48 34.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -22.95 51.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -44.85 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -90.26 145.79 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -97.94 146.27 31.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.702 HG22 HD13 ' A' ' 53' ' ' LEU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.697 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -107.71 108.9 20.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' CE ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.19 135.81 45.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 144.49 51.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -123.24 119.75 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.51 58.33 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 76.41 -55.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -93.56 116.88 29.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.86 94.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -115.76 -54.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' MET . 32.4 t -116.35 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -103.82 159.76 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.602 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HA ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.927 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD12 ' C ' ' A' ' 38' ' ' ILE . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.923 ' HB2' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.902 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 52' ' ' ILE . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.665 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -100.04 110.47 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -97.31 140.64 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 56' ' ' LEU . 35.3 m-20 -55.68 122.56 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 m -95.68 127.66 41.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -85.98 129.97 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.239 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.12 144.19 47.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -100.36 128.47 46.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.37 125.19 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 121.7 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.8 pt-20 -104.0 116.92 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.6 mt -97.98 116.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -70.06 122.09 18.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.9 p -98.93 147.41 33.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -32.8 15.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -55.55 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -106.13 145.56 31.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -97.88 141.54 23.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 53' ' ' LEU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' C ' ' HB3' ' A' ' 49' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -108.03 108.95 20.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.59 148.72 52.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 137.2 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.12 -55.78 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.75 152.39 0.62 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.1 mtm 60.8 158.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -50.35 -59.93 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.11 -71.48 2.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.31 -63.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' A' ' 44' ' ' MET . 31.1 t -108.75 130.26 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -116.56 159.26 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.891 ' SG ' HD11 ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.6 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.54 ' O ' HG21 ' A' ' 5' ' ' THR . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HD3' HD21 ' A' ' 39' ' ' LEU . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.956 ' HB2' HG22 ' A' ' 22' ' ' VAL . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.718 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.761 HD11 HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.549 ' C ' HD22 ' A' ' 55' ' ' LEU . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.891 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -98.9 110.86 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tp -103.47 139.72 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.7 122.94 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -72.32 133.26 44.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.92 136.7 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.38 154.25 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 151.0 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.07 132.65 36.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -96.07 125.12 40.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.58 139.05 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -84.43 126.11 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 118.82 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -88.11 147.51 40.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.535 1.808 . . . . 0.0 111.05 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.452 0.167 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -82.36 -34.75 28.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -116.45 145.71 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -98.58 142.62 24.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG22 HD11 ' A' ' 53' ' ' LEU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.859 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -104.15 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 138.88 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -106.45 127.87 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 m -82.23 133.8 35.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.35 -121.77 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 110.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -105.16 81.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.85 -63.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.1 170.6 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.4 m -82.81 144.78 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -86.74 159.41 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.86 ' SG ' HD11 ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.859 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 4.2 p30 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.883 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.558 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.86 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -100.35 110.4 22.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tp -103.95 140.77 37.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.67 122.45 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.55 122.86 35.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 tp -106.49 134.32 48.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -90.52 150.37 21.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 139.69 33.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.98 138.46 39.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.86 121.05 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.51 138.28 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 tt -79.43 130.66 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -76.59 141.01 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 76.5 p -120.03 147.48 44.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.48 0.181 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 39.7 m-20 -79.8 -30.23 40.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 157.28 -65.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.642 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -92.59 144.79 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.94 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.98 141.64 23.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' HG3' HD12 ' A' ' 30' ' ' LEU . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.934 ' CG2' HD11 ' A' ' 53' ' ' LEU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.9 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -106.28 108.49 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD2' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -134.59 126.67 29.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.2 133.18 43.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -107.34 128.6 54.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . 134.39 129.34 2.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 80.59 -67.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -124.14 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.77 79.84 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.44 -66.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 44' ' ' MET . 14.7 t -108.21 140.61 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -122.22 157.33 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.466 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD12 ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.944 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.9 HG21 ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' HG22 ' A' ' 22' ' ' VAL . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.01 ' O ' HD13 ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.642 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.94 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -101.19 109.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.2 tm? -105.25 139.04 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.714 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -56.74 122.76 12.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.5 t -91.95 135.75 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.49 123.61 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 150.14 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.56 146.37 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.4 139.95 46.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.22 137.59 32.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 148.77 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 pt -96.68 134.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -107.92 129.27 55.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 32.8 p -106.88 147.43 35.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.513 1.797 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -88.14 -33.98 18.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -50.15 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -107.34 144.45 34.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -99.16 143.88 27.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.845 HG22 HD11 ' A' ' 53' ' ' LEU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 25' ' ' VAL . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.843 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.51 111.57 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -133.12 135.34 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.25 111.64 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -53.17 140.86 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.19 60.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ttm 56.28 57.99 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p 44.07 -165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.91 143.21 9.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -43.1 -59.07 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 37.4 t -118.93 144.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.802 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.0 tmm? -108.09 137.66 45.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' SG ' HD11 ' A' ' 55' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.614 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG21 ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HD3' ' A' ' 37' ' ' ARG . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.843 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.802 ' H ' ' HE1' ' A' ' 23' ' ' MET . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.53 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.845 HD11 HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.901 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -101.24 110.49 22.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.762 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -103.45 140.23 37.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.762 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -55.27 123.19 12.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m -91.3 129.95 37.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -79.29 128.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 146.49 25.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -92.93 139.27 30.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.62 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 127.41 33.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.83 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.23 150.72 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.6 p -122.51 147.69 50.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.439 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.72 -32.17 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 172.96 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -86.13 142.71 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.66 146.88 32.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.896 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 25' ' ' VAL . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -105.79 108.59 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 155.83 47.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m 66.25 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.435 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.54 -84.67 0.26 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -170.43 124.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -158.09 137.05 11.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.69 -117.2 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 13.5 pt-20 -156.97 -44.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 44' ' ' MET . 13.2 t -118.19 143.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp -106.8 143.9 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.894 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.739 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 5' ' ' THR . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.987 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.987 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' HB2' HG12 ' A' ' 22' ' ' VAL . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.829 ' HB2' HG22 ' A' ' 22' ' ' VAL . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.782 HD11 ' OD2' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.782 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.985 ' C ' HD23 ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.592 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -101.32 110.63 22.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -105.63 145.18 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.22 122.32 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -83.64 121.14 26.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mt -83.16 123.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -72.11 149.63 44.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 150.18 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.87 132.4 41.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 122.33 42.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.09 146.36 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mt -94.18 132.55 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.4 143.93 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 71.7 p -106.26 147.55 35.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.48 0.181 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.45 -29.81 37.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.72 -41.3 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -118.4 145.19 45.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.948 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.19 141.47 22.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.903 ' CG2' HD11 ' A' ' 53' ' ' LEU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -107.8 114.45 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -126.06 128.75 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -128.24 101.95 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' MET . 4.1 m 39.52 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.18 87.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 179.41 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -78.29 128.23 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 176.92 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -109.71 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 1.7 m -113.27 144.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.608 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.4 tmm? -84.1 142.22 30.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.563 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 9' ' ' VAL . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.68 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.851 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.826 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 3.0 m120 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.695 HD11 ' OD1' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.695 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.044 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.044 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.616 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.948 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -100.54 110.58 22.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.9 tm? -104.23 139.09 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.799 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p-10 -57.21 122.64 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -94.53 122.96 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.2 138.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.27 149.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.37 144.9 31.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.32 143.92 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 126.76 31.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.55 132.78 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.6 pt -89.5 135.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -71.6 135.19 46.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 67.7 p -94.59 147.66 33.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.421 1.748 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.86 -170.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -99.21 145.52 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.017 HG21 HD13 ' A' ' 29' ' ' ILE . 1.6 m -96.48 128.98 34.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 29' ' ' ILE . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.851 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 25' ' ' VAL . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.93 109.63 21.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 137.69 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.69 126.09 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -69.26 84.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.92 148.29 4.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.96 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -97.6 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.58 -152.16 22.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -141.84 -47.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.979 HG22 ' HB3' ' A' ' 44' ' ' MET . 37.4 t -118.48 133.89 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -118.06 158.58 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.615 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 53' ' ' LEU . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.866 ' HD3' HD11 ' A' ' 39' ' ' LEU . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.674 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 55' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HB2' HG12 ' A' ' 22' ' ' VAL . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.979 ' HB3' HG22 ' A' ' 22' ' ' VAL . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.707 HD11 ' OD1' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.977 ' C ' HD23 ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 52' ' ' ILE . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.043 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.12 109.77 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.7 tm? -103.65 141.52 35.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.865 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p-10 -53.24 122.3 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.8 p -96.39 114.6 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.4 mt -72.12 121.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.22 155.96 23.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 148.48 45.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.07 124.31 40.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -99.09 124.82 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.58 148.19 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.26 120.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.92 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.9 p -109.31 147.52 36.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.474 0.178 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' ALA . 4.3 t70 -103.65 -7.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.29 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' LEU . . . -123.97 147.2 47.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -97.9 131.1 27.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.858 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.834 ' CG2' HD11 ' A' ' 53' ' ' LEU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.607 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.825 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -105.67 107.62 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 139.92 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.99 38.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m 57.15 105.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.9 147.7 50.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.8 mmt 56.31 56.64 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -102.78 -2.39 28.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.96 84.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 179.61 -164.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 25.4 t -99.59 127.44 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -114.29 158.51 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.825 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.025 HG12 HD22 ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.731 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.817 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 8.7 m-80 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.891 ' C ' HD13 ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.025 HD22 HG12 ' A' ' 29' ' ' ILE . 2.9 mp -100.95 110.83 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 1' ' ' MET . 3.0 tp -98.36 139.94 33.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.31 122.75 11.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -82.97 124.94 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.5 mm -76.76 139.58 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -86.1 123.39 31.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -96.69 136.66 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.61 143.3 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.82 124.52 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.58 156.49 16.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.79 140.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -95.22 136.83 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 54.9 p -86.43 147.51 44.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.513 0.197 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.3 -31.27 14.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.3 p-10 -56.8 -54.59 44.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -121.19 145.03 48.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -98.76 144.69 28.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.722 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 51' ' ' ASP . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.008 HG13 HG23 ' A' ' 25' ' ' VAL . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -109.76 103.72 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 136.61 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.1 107.51 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m 59.46 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.8 114.88 4.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mtt -148.66 123.46 9.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m 59.46 156.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.59 106.05 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -132.81 178.12 7.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 44' ' ' MET . 0.2 OUTLIER -99.43 125.65 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.22 160.61 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.063 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.707 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.008 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' HD11 ' A' ' 55' ' ' LEU . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.795 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 37' ' ' ARG . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 1.007 ' HB2' HG13 ' A' ' 22' ' ' VAL . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -101.07 110.54 22.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 3' ' ' ASP . 5.5 tp -103.8 139.31 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.83 122.87 13.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 135.01 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.06 135.38 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.27 146.14 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.23 144.79 30.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.26 139.49 39.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 131.65 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -98.06 151.6 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 pt -75.48 139.36 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.38 146.48 48.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 75.8 p -121.18 147.6 47.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.47 0.176 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -31.35 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.9 -64.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.494 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -88.36 145.47 25.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.586 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -98.87 141.76 23.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 53' ' ' LEU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.718 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -102.88 111.1 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.98 124.94 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 121.77 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.4 m 66.59 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.3 119.94 1.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.47 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -76.15 154.49 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.53 -110.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.27 -169.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -93.17 146.55 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.63 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -107.26 145.84 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.798 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.655 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.575 ' HB2' HD23 ' A' ' 53' ' ' LEU . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.514 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD21 HD12 ' A' ' 55' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' HB2' HG21 ' A' ' 22' ' ' VAL . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.54 HD11 ' OD1' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.999 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.494 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.896 HD12 HD21 ' A' ' 39' ' ' LEU . 1.5 mm? -100.94 109.6 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -105.26 141.05 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.23 121.74 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 58' ' ' THR . 10.1 t -98.76 113.41 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.75 142.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.7 138.88 31.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.32 139.93 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.33 125.93 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 129.28 35.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -103.24 117.22 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 pt -84.25 133.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.72 123.36 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 66.6 p -110.71 147.6 36.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.91 -34.12 24.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 -56.72 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -109.73 144.65 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -99.01 143.75 26.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.939 HG22 ' SG ' ' A' ' 27' ' ' CYS . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.901 HG13 HG23 ' A' ' 25' ' ' VAL . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.26 105.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 160.52 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -130.99 114.97 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 t -110.85 152.81 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.15 -77.5 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -134.53 -50.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -106.4 140.76 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.44 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.33 103.32 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.34 -50.97 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.45 140.09 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.18 158.79 28.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 HG13 ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.939 ' SG ' HG22 ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.995 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.995 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.919 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' SG ' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.676 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -101.54 109.26 21.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -105.21 139.84 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.68 122.96 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 t -73.35 141.85 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -92.44 116.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 125.15 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.87 156.54 17.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 144.38 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.22 120.76 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -104.67 155.26 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -77.5 117.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 119.58 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 64.8 p -92.32 147.56 34.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.473 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.68 -20.21 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -147.72 -70.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.754 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -85.09 147.5 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -98.23 137.59 20.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.693 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HG3' HD12 ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.996 ' CG2' HD11 ' A' ' 53' ' ' LEU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.6 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -106.14 108.11 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.67 140.72 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -103.15 143.71 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -38.51 -60.07 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.62 -131.17 1.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 ttt 57.37 88.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m 57.74 98.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.71 134.71 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.57 -43.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 44' ' ' MET . 37.5 t -118.24 137.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -112.71 157.04 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.862 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HB2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD13 HG21 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.796 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.566 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.796 HD11 ' HD3' ' A' ' 37' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.611 ' HB2' HG22 ' A' ' 22' ' ' VAL . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.007 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.754 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 5' ' ' THR . 2.4 mp -104.38 107.08 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.808 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -105.4 146.16 29.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.71 120.06 3.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -94.51 135.29 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 mt -104.49 130.56 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 148.59 49.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -101.1 157.22 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.42 116.62 15.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.57 137.7 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -104.05 148.97 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.77 146.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.98 119.27 32.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -95.33 147.48 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.467 0.175 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -104.97 -27.42 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -59.56 5.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -116.53 146.67 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.892 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -97.4 150.22 36.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.633 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 47' ' ' ILE . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.74 117.19 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -132.16 120.61 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -92.17 113.66 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m 60.67 158.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.12 61.17 4.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.03 134.12 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 19' ' ' THR . 19.9 m -93.06 64.2 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.44 -80.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -166.23 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.612 HG12 ' OD1' ' A' ' 42' ' ' ASN . 26.1 t -114.35 134.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -122.19 159.21 27.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HD3' HG21 ' A' ' 38' ' ' ILE . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.673 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.823 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.754 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.612 ' OD1' HG12 ' A' ' 22' ' ' VAL . 2.8 m-80 -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.416 ' HB2' HG22 ' A' ' 22' ' ' VAL . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 53' ' ' LEU . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.571 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.892 HD23 HG22 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.7 109.91 21.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.3 tm? -104.25 139.47 39.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.674 ' N ' HD13 ' A' ' 56' ' ' LEU . 5.3 m-20 -55.67 123.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -83.3 118.65 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.71 126.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.01 129.11 34.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.57 145.05 45.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.79 115.76 23.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -81.85 121.61 26.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.05 134.03 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.08 120.91 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -75.47 123.34 25.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.5 p -93.81 147.52 33.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -26.17 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 -63.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 54' ' ' MET . . . -92.8 146.1 23.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -96.64 151.48 37.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.593 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.754 ' HB2' HD11 ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.806 ' CG2' HD13 ' A' ' 53' ' ' LEU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.907 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -108.23 107.96 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.73 132.44 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -125.95 148.52 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m 66.57 -74.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 142.17 -155.18 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.8 mtp -53.8 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m 58.63 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.71 -156.95 20.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.52 -171.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.5 m -86.28 144.06 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -84.33 158.93 21.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.907 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.896 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.806 HD13 ' CG2' ' A' ' 9' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.623 ' CB ' ' HB1' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -101.87 111.03 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.1 tm? -90.44 139.8 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' N ' HD13 ' A' ' 56' ' ' LEU . 9.2 t70 -55.72 122.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.48 123.33 41.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.71 ' C ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -80.75 120.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -96.64 127.55 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 130.37 41.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.75 135.91 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 126.96 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.85 153.94 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -84.39 129.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.43 124.41 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.7 p -118.66 147.66 42.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -31.71 9.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.39 -66.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.591 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -97.59 144.71 26.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -101.55 142.17 24.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.797 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' HG3' HD12 ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.786 ' CG2' HD11 ' A' ' 53' ' ' LEU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 25' ' ' VAL . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -108.04 105.86 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 153.24 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.6 116.86 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.1 p -63.8 111.76 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.63 -159.44 38.37 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.4 ttm 61.65 66.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.68 130.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.23 -100.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.31 -178.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.1 m -90.19 144.71 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -88.08 157.54 18.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HB2' HD23 ' A' ' 53' ' ' LEU . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD12 ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.457 HH12 HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.62 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.496 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.692 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.692 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.591 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -100.73 108.23 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.4 tm? -106.0 141.28 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' LEU . 9.3 t70 -52.4 120.59 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' THR . 8.1 t -100.26 109.93 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.94 146.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 136.6 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.08 150.39 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.71 126.82 31.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 120.25 16.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -104.79 138.01 41.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.9 mt -76.98 110.11 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.46 144.25 26.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 66.3 p -118.97 147.59 42.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpp? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.508 0.194 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -27.95 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.49 -59.85 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 55' ' ' LEU . . . -114.04 146.1 40.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.933 HG21 HD13 ' A' ' 29' ' ' ILE . 88.8 m -96.37 127.13 41.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.99 114.28 28.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.97 126.47 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m -51.33 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.72 -136.36 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.45 69.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 0.724 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -174.91 162.37 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 -170.56 44.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -136.28 -53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 2.7 m -99.42 144.53 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.6 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -84.99 160.37 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.731 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD13 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.972 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.972 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.742 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 ' H ' ' HE1' ' A' ' 23' ' ' MET . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.821 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 52' ' ' ILE . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.519 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -99.84 109.56 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.0 tm? -104.89 139.59 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.778 ' N ' HD13 ' A' ' 56' ' ' LEU . 80.8 m-20 -69.59 122.41 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.2 t -72.54 126.68 30.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.7 131.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -99.5 155.47 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 136.78 38.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.12 134.48 34.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 124.13 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.38 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.01 145.89 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -97.6 144.01 27.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.3 p -122.98 147.64 51.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.526 0.203 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.66 -34.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.9 -58.8 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -97.16 146.63 24.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.912 HG21 HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -97.28 140.14 21.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' ILE . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HG3' HD12 ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.908 HG22 HD11 ' A' ' 53' ' ' LEU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.844 ' C ' HD13 ' A' ' 13' ' ' LEU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -105.02 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.54 130.95 41.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 135.29 52.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -83.38 113.93 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.453 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' MET . . . 119.91 -151.44 17.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 7.8 ptt? 43.41 -167.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -142.04 94.3 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.14 116.53 5.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.3 -50.83 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG22 ' HG3' ' A' ' 44' ' ' MET . 39.9 t -115.49 143.84 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.565 ' HE3' ' H ' ' A' ' 47' ' ' ILE . 3.3 tmm? -86.4 140.26 30.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' HD21 ' A' ' 55' ' ' LEU . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' HG3' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.979 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.979 HD22 ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.659 ' ND2' ' C ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.851 ' HG3' HG22 ' A' ' 22' ' ' VAL . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.81 HD11 ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.81 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.962 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.962 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.489 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -99.01 110.12 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.66 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -103.58 140.06 38.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.66 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p30 -56.07 122.86 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -72.38 131.63 42.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mm -105.95 140.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 153.24 43.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -104.95 137.67 42.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.06 127.49 41.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 122.62 24.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.01 147.44 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.47 124.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -95.36 141.46 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 82.1 p -124.3 147.66 55.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 -35.05 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.75 162.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -87.31 145.4 26.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.804 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.16 141.69 23.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.738 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.699 ' CG2' HD13 ' A' ' 53' ' ' LEU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.096 HG13 HG23 ' A' ' 25' ' ' VAL . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -110.31 103.9 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 160.85 37.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.54 117.69 23.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.1 p 43.1 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.25 -172.86 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 100.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -135.93 161.95 34.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.52 -125.14 7.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -143.63 -62.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 44' ' ' MET . 24.9 t -117.37 141.49 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? -98.66 142.4 30.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG3' HD23 ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.096 HG23 HG13 ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 55' ' ' LEU . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 5' ' ' THR . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.706 HG21 ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 37' ' ' ARG . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.596 ' HB3' HG22 ' A' ' 22' ' ' VAL . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.837 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.837 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD13 ' CG2' ' A' ' 9' ' ' VAL . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.804 HD23 HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -100.2 109.27 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 57' ' ' ASP . 2.2 tm? -105.5 131.29 53.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.602 ' N ' HD22 ' A' ' 56' ' ' LEU . 33.6 t70 -56.21 122.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.17 135.1 33.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.03 136.94 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.46 132.45 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.22 143.95 42.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.85 129.43 37.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -95.45 124.17 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.83 124.22 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 pt -86.27 144.66 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -71.91 139.15 48.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 71.9 p -103.53 147.62 34.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.893 ' CG2' HD21 ' A' ' 53' ' ' LEU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 28.5 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.524 0.202 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.618 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 38' ' ' ILE . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HA ' HG22 ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.752 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' HE2' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.675 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.009 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.702 HG22 HD13 ' A' ' 53' ' ' LEU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.697 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.602 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HA ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.927 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD12 ' C ' ' A' ' 38' ' ' ILE . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.902 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 52' ' ' ILE . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.57 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 53' ' ' LEU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.4 ' C ' ' HB3' ' A' ' 49' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.545 0.212 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.891 ' SG ' HD11 ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.6 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.54 ' O ' HG21 ' A' ' 5' ' ' THR . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HD3' HD21 ' A' ' 39' ' ' LEU . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.654 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.618 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.718 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.761 HD11 HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.549 ' C ' HD22 ' A' ' 55' ' ' LEU . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.891 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.755 HG22 HD11 ' A' ' 53' ' ' LEU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.859 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.53 0.205 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.86 ' SG ' HD11 ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.859 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.5 p-10 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.883 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.558 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.86 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.94 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.545 ' HG3' HD12 ' A' ' 30' ' ' LEU . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.934 ' CG2' HD11 ' A' ' 53' ' ' LEU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.9 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.467 0.175 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.466 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD12 ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.944 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.9 HG21 ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.01 ' O ' HD13 ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.94 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.845 HG22 HD11 ' A' ' 53' ' ' LEU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 25' ' ' VAL . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.843 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.586 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.0 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.901 ' SG ' HD11 ' A' ' 55' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.614 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG21 ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HD3' ' A' ' 37' ' ' ARG . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.843 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.586 ' H ' ' HE1' ' A' ' 23' ' ' MET . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.53 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.845 HD11 HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.6 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.901 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.896 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 25' ' ' VAL . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.503 0.192 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.894 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.739 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 5' ' ' THR . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.987 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.987 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.782 HD11 ' OD2' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.782 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.985 ' C ' HD23 ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.592 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.948 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.903 ' CG2' HD11 ' A' ' 53' ' ' LEU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.539 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 2.4 tmm? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.521 0.201 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.563 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 9' ' ' VAL . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.68 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.851 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.826 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.695 HD11 ' OD1' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.695 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.044 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.044 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.948 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.017 HG21 HD13 ' A' ' 29' ' ' ILE . 1.6 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 29' ' ' ILE . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.851 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 25' ' ' VAL . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.563 0.221 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.684 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.615 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 53' ' ' LEU . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.866 ' HD3' HD11 ' A' ' 39' ' ' LEU . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.674 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 55' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.707 HD11 ' OD1' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.977 ' C ' HD23 ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 52' ' ' ILE . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.466 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.043 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.858 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.834 ' CG2' HD11 ' A' ' 53' ' ' LEU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.607 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.825 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.558 0.218 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.825 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.025 HG12 HD22 ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.731 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.817 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.891 ' C ' HD13 ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.025 HD22 HG12 ' A' ' 29' ' ' ILE . 2.9 mp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.722 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 51' ' ' ASP . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.008 HG13 HG23 ' A' ' 25' ' ' VAL . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.707 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.008 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' HD11 ' A' ' 55' ' ' LEU . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.795 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 37' ' ' ARG . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.591 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.586 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 53' ' ' LEU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.718 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.63 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.005 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.798 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.655 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.575 ' HB2' HD23 ' A' ' 53' ' ' LEU . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.514 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD21 HD12 ' A' ' 55' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.54 HD11 ' OD1' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.999 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 54' ' ' MET . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.896 HD12 HD21 ' A' ' 39' ' ' LEU . 1.5 mm? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.939 HG22 ' SG ' ' A' ' 27' ' ' CYS . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.901 HG13 HG23 ' A' ' 25' ' ' VAL . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.518 0.199 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 HG13 ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.939 ' SG ' HG22 ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.995 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.995 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.919 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' SG ' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.598 ' C ' HD22 ' A' ' 55' ' ' LEU . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.693 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HG3' HD12 ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.996 ' CG2' HD11 ' A' ' 53' ' ' LEU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.6 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.527 0.203 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.862 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HB2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.561 HD13 HG21 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.796 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.566 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.796 HD11 ' HD3' ' A' ' 37' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.007 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 5' ' ' THR . 2.4 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.892 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.633 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 47' ' ' ILE . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.466 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.483 0.183 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HD3' HG21 ' A' ' 38' ' ' ILE . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.673 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.823 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.754 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 53' ' ' LEU . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.892 HD23 HG22 ' A' ' 5' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.593 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.754 ' HB2' HD11 ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.806 ' CG2' HD13 ' A' ' 53' ' ' LEU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.907 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.907 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.474 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.896 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.806 HD13 ' CG2' ' A' ' 9' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.533 ' HE2' ' H ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.797 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' HG3' HD12 ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.786 ' CG2' HD11 ' A' ' 53' ' ' LEU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 25' ' ' VAL . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.191 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HB2' HD23 ' A' ' 53' ' ' LEU . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.523 HD12 ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.62 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.692 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.692 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.921 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.933 HG21 HD13 ' A' ' 29' ' ' ILE . 88.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.42 ' HE2' ' H ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.467 0.175 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.731 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD13 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.972 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.972 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.742 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.56 HG21 HG11 ' A' ' 43' ' ' VAL . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.821 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 52' ' ' ILE . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.519 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.912 HG21 HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' ILE . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HG3' HD12 ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.908 HG22 HD11 ' A' ' 53' ' ' LEU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.844 ' C ' HD13 ' A' ' 13' ' ' LEU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.453 ' HE3' ' O ' ' A' ' 45' ' ' GLY . 3.3 tmm? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.539 0.209 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' HD21 ' A' ' 55' ' ' LEU . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' HG3' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.979 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.979 HD22 ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.503 ' C ' ' OD1' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.81 HD11 ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.81 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.962 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.962 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.489 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.804 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.738 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.699 ' CG2' HD13 ' A' ' 53' ' ' LEU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.096 HG13 HG23 ' A' ' 25' ' ' VAL . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.965 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.539 0.209 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG3' HD23 ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.096 HG23 HG13 ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 55' ' ' LEU . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 5' ' ' THR . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.706 HG21 ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 37' ' ' ARG . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 44' ' ' MET . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.837 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.837 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD13 ' CG2' ' A' ' 9' ' ' VAL . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.804 HD23 HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.505 0.193 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -86.55 -25.33 25.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.28 -65.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -98.94 147.29 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -97.51 145.23 29.33 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 133.31 16.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.652 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -151.26 156.9 41.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.546 ' HG3' HD12 ' A' ' 30' ' ' LEU . 50.6 mt-10 -117.36 132.22 56.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.893 ' CG2' HD21 ' A' ' 53' ' ' LEU . 11.3 t -50.57 132.93 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -114.18 -40.88 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' LYS . 6.9 tt0 -132.24 145.48 51.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.92 140.01 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.29 109.97 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' HD3' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.93 119.71 20.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.15 105.75 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m 67.82 169.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.74 -119.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.6 113.13 19.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -145.63 54.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.26 -104.06 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -178.14 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 21' ' ' GLU . 29.9 t -117.66 144.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 28.5 ttp -96.65 140.75 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.83 144.48 33.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.618 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -137.71 159.53 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.589 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.2 ttmm -110.52 135.11 51.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.584 ' O ' HG23 ' A' ' 38' ' ' ILE . 12.6 p -138.59 149.52 45.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -117.69 139.79 50.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.579 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -58.67 123.94 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.6 mt -87.89 -26.2 22.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 161.93 21.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.08 -164.37 26.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -32.04 34.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.5 m-20 -82.96 -54.54 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.579 ' HA ' HG22 ' A' ' 29' ' ' ILE . 8.9 ttmt 59.14 132.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.84 -4.23 53.57 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.752 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -66.43 125.58 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.819 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 mt -116.89 127.2 74.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.5 mp -131.54 148.19 52.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.57 133.62 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -143.42 154.42 43.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.9 120.33 29.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.8 p -130.11 132.42 65.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.4 ptm -80.27 133.57 35.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' HE2' ' A' ' 23' ' ' MET . . . 120.28 156.77 10.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.049 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 91.14 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.675 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.6 tt -125.92 123.32 63.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.67 163.46 25.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.56 136.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.28 -22.33 12.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.675 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -74.67 -178.64 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.009 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.2 mt -124.3 129.01 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -127.21 161.35 28.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.576 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.8 mmt -106.52 135.75 47.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 7' ' ' ALA . 2.3 mm? -102.13 108.38 19.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.5 tm? -104.82 135.63 45.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.804 ' N ' HD13 ' A' ' 56' ' ' LEU . 6.7 p-10 -56.64 122.42 12.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 t -90.94 131.47 36.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tp -93.37 132.92 36.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.8 129.56 36.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.53 147.74 22.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.075 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.3 137.1 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 127.5 41.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -103.3 139.36 38.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 pt -98.34 131.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -107.22 119.46 39.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.33 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 34.2 p -103.26 147.48 34.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.491 0.186 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -22.95 51.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -44.85 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.665 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -90.26 145.79 24.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -97.94 146.27 31.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.392 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 108.6 2.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.31 157.93 40.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.599 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.0 mm-40 -122.45 132.85 54.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.702 HG22 HD13 ' A' ' 53' ' ' LEU . 10.9 t -50.85 119.71 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.9 pp -102.64 -38.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 26' ' ' LYS . 21.4 tp10 -134.99 138.99 44.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.697 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -122.7 133.86 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.813 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -107.71 108.9 20.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.585 ' CE ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.19 135.81 45.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.66 144.49 51.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -123.24 119.75 31.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.434 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . -166.51 58.33 0.23 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 76.41 -55.17 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -93.56 116.88 29.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.42 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.86 94.35 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -115.76 -54.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 44' ' ' MET . 32.4 t -116.35 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -103.82 159.76 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.813 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -106.12 158.63 16.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -138.33 161.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.4 ttmm -121.35 135.21 55.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -140.01 132.7 28.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.285 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -101.34 138.58 38.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.602 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -56.76 118.6 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 8' ' ' GLU . 17.4 mt -83.45 -25.2 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.8 p-10 -165.28 154.53 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 149.28 -169.97 29.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -27.0 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.489 ' O ' ' O ' ' A' ' 35' ' ' LYS . 9.2 m-20 -88.4 -53.9 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HA ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 59.21 132.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.32 -8.9 57.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.427 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -64.06 127.64 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 0.795 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.927 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.3 mp -120.66 133.58 66.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD12 ' C ' ' A' ' 38' ' ' ILE . 4.1 mp -131.98 149.9 52.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.71 136.11 53.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.01 149.8 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -87.69 120.79 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.8 p -135.77 132.66 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.923 ' HB2' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -89.58 126.1 35.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.95 159.72 8.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 86.42 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 tt -125.77 123.76 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.55 157.59 39.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.07 136.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.95 -17.89 9.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -81.19 172.31 13.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.902 ' O ' HD12 ' A' ' 53' ' ' LEU . 5.9 mt -103.93 145.74 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 52' ' ' ILE . 5.9 mp -139.57 160.84 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.665 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.9 mmt -110.11 118.84 37.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.757 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -100.04 110.47 22.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -97.31 140.64 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.614 ' N ' HD13 ' A' ' 56' ' ' LEU . 35.3 m-20 -55.68 122.56 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.2 m -95.68 127.66 41.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -85.98 129.97 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.239 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.12 144.19 47.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -100.36 128.47 46.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.37 125.19 32.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.47 121.7 24.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 64' ' ' GLU . 11.8 pt-20 -104.0 116.92 33.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.6 mt -97.98 116.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -70.06 122.09 18.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.9 p -98.93 147.41 33.17 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.468 0.175 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -32.8 15.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.04 -55.55 9.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -106.13 145.56 31.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -97.88 141.54 23.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.443 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 127.8 10.96 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -145.18 156.4 43.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 73.1 mt-10 -107.93 131.29 54.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 53' ' ' LEU . 8.6 t -54.41 135.01 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' C ' ' HB3' ' A' ' 49' ' ' GLU . 2.5 pp -114.3 -40.14 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' A' ' 26' ' ' LYS . 1.9 tt0 -135.69 140.19 44.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.341 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.61 132.37 71.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.865 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -108.03 108.95 20.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.682 ' HE2' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -132.59 148.72 52.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 137.2 49.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.12 -55.78 4.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.377 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.75 152.39 0.62 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.1 mtm 60.8 158.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -50.35 -59.93 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.11 -71.48 2.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 70.31 -63.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.956 HG22 ' HB2' ' A' ' 44' ' ' MET . 31.1 t -108.75 130.26 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.444 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -116.56 159.26 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.865 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -105.36 159.07 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.2 p -140.08 157.27 25.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.4 ttmt -116.76 132.36 56.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.891 ' SG ' HD11 ' A' ' 55' ' ' LEU . 2.3 p -139.08 146.09 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 108.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.6 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 13.2 ttt180 -111.03 137.94 48.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.562 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -57.46 141.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 19.1 mt -110.79 -13.93 14.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.54 ' O ' HG21 ' A' ' 5' ' ' THR . 5.4 m-20 -163.85 152.03 13.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.73 176.52 14.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -26.0 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.757 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.577 ' O ' ' C ' ' A' ' 35' ' ' LYS . 29.4 m-20 -101.86 18.51 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -26.2 121.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.446 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 99.25 -8.65 60.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HD3' HD21 ' A' ' 39' ' ' LEU . 4.7 ttt-85 -60.16 131.29 50.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.6 mp -113.53 129.65 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.654 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.7 mm? -129.29 145.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.22 133.92 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.94 152.43 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 9.2 p30 -87.21 120.87 28.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -138.39 132.46 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.956 ' HB2' HG22 ' A' ' 22' ' ' VAL . 12.8 ttt -88.53 125.97 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 141.03 161.95 8.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 86.89 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.524 1.802 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.39 122.27 60.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 158.48 38.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.618 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.22 142.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.11 -20.29 28.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -74.01 177.11 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.718 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -121.0 128.35 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.761 HD11 HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -136.44 158.27 44.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.549 ' C ' HD22 ' A' ' 55' ' ' LEU . 18.2 mmm -97.31 133.93 41.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.891 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -98.9 110.86 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tp -103.47 139.72 38.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -56.7 122.94 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.8 t -72.32 133.26 44.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -88.92 136.7 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.38 154.25 17.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 151.0 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.07 132.65 36.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -96.07 125.12 40.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.58 139.05 37.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 pt -84.43 126.11 40.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.38 118.82 30.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -88.11 147.51 40.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.421 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.535 1.808 . . . . 0.0 111.05 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 tpt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.452 0.167 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -82.36 -34.75 28.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -45.43 -60.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -116.45 145.71 43.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -98.58 142.62 24.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.394 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.07 126.47 9.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.63 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -142.94 156.81 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 48.5 mt-10 -109.19 132.37 54.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.755 HG22 HD11 ' A' ' 53' ' ' LEU . 13.5 t -52.49 123.77 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -103.7 -40.66 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.3 tp10 -134.26 138.85 45.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -118.86 126.6 75.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.859 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -104.15 109.04 20.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.92 138.88 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -106.45 127.87 53.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.0 m -82.23 133.8 35.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 133.35 -121.77 2.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.86 110.2 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -105.16 81.96 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.85 -63.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.1 170.6 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.519 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.4 m -82.81 144.78 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.44 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -86.74 159.41 19.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.453 ' O ' ' O ' ' A' ' 13' ' ' LEU . 4.4 pm0 -105.85 158.37 16.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -138.46 150.54 24.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.662 ' N ' ' O ' ' A' ' 11' ' ' GLU . 7.7 ttmt -107.64 129.62 54.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.86 ' SG ' HD11 ' A' ' 55' ' ' LEU . 16.6 p -136.24 130.63 33.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -100.31 138.73 36.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.11 143.21 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 40.8 mt -111.22 -16.88 13.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' O ' HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -164.32 151.18 11.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 132.23 169.48 12.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -17.56 64.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' O ' ' C ' ' A' ' 35' ' ' LYS . 92.9 m-20 -103.65 10.86 36.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.58 ' C ' ' O ' ' A' ' 34' ' ' ASP . 13.0 ttmt -24.1 133.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.95 -9.13 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.654 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -63.12 128.09 34.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.879 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.76 132.54 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.879 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.0 mm? -137.41 150.42 47.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.859 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.7 m -123.01 139.69 53.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.423 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.99 154.83 45.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.519 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 2.5 p-10 -88.42 120.35 29.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 5.2 p -135.81 134.61 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.453 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.5 ttt -89.14 126.67 35.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.44 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.72 160.33 9.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 88.41 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.82 123.63 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.13 159.52 34.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.95 138.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.6 -19.28 16.6 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -75.12 -178.89 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.349 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.883 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.4 mt -123.86 131.68 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -137.18 161.66 35.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.558 ' C ' HD22 ' A' ' 55' ' ' LEU . 2.4 mmt -98.3 130.43 44.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.86 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -100.35 110.4 22.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tp -103.95 140.77 37.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.67 122.45 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.55 122.86 35.4 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.4 tp -106.49 134.32 48.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -90.52 150.37 21.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.44 139.69 33.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -102.98 138.46 39.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.86 121.05 29.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -101.51 138.28 38.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.6 tt -79.43 130.66 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -76.59 141.01 41.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 76.5 p -120.03 147.48 44.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.48 0.181 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.486 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 39.7 m-20 -79.8 -30.23 40.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.486 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER 157.28 -65.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.642 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -92.59 144.79 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.94 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.98 141.64 23.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.03 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.72 156.95 43.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.545 ' HG3' HD12 ' A' ' 30' ' ' LEU . 33.2 mt-10 -117.47 133.56 55.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.934 ' CG2' HD11 ' A' ' 53' ' ' LEU . 25.5 t -51.85 120.58 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 -38.97 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 26' ' ' LYS . 17.4 tp10 -134.51 140.1 45.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 ' HB ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -121.85 127.92 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.9 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -106.28 108.49 20.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD2' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -134.59 126.67 29.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.239 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.2 133.18 43.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.8 t -107.34 128.6 54.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.423 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' MET . . . 134.39 129.34 2.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.446 1.091 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER 80.59 -67.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 0.777 . . . . 0.0 110.995 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 p -124.14 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.77 79.84 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.44 -66.43 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG22 ' HG3' ' A' ' 44' ' ' MET . 14.7 t -108.21 140.61 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.443 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -122.22 157.33 31.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' O ' ' O ' ' A' ' 13' ' ' LEU . 3.8 pm0 -108.63 157.46 18.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -138.9 145.53 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' N ' ' O ' ' A' ' 11' ' ' GLU . 26.5 ttmt -102.89 135.21 44.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.0 p -139.79 136.64 34.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 108.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.45 ' CG ' HG13 ' A' ' 38' ' ' ILE . 1.1 tmm_? -108.77 139.49 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.466 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -53.57 142.46 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD12 ' HG3' ' A' ' 8' ' ' GLU . 31.3 mt -112.33 -14.28 13.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HA ' ' CD ' ' A' ' 35' ' ' LYS . 33.6 t0 -163.99 142.92 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 132.51 162.58 10.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -62.28 -17.44 58.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.587 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.5 m-20 -94.93 6.77 48.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -24.52 134.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.12 -9.45 74.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.133 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.568 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -63.12 126.88 28.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.944 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.4 mp -121.13 127.73 75.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' C ' ' A' ' 38' ' ' ILE . 2.3 mp -133.71 124.18 26.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.9 HG21 ' CD1' ' A' ' 13' ' ' LEU . 2.4 m -101.34 139.51 36.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.66 156.14 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -86.51 120.02 27.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -135.82 132.79 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.446 ' HG3' HG22 ' A' ' 22' ' ' VAL . 2.2 ttm -87.39 126.19 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 137.98 157.05 7.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.54 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.36 124.42 65.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.512 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.11 156.65 42.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -30.09 134.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 118.13 -21.67 10.05 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -72.91 168.05 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.01 ' O ' HD13 ' A' ' 53' ' ' LEU . 5.0 mt -101.27 144.1 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.01 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.03 162.08 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.642 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 2.2 mmt -115.46 124.23 50.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.94 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -101.19 109.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.2 tm? -105.25 139.04 40.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.714 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -56.74 122.76 12.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.5 t -91.95 135.75 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.5 mp -92.49 123.61 44.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 150.14 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.56 146.37 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.4 139.95 46.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.22 137.59 32.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 148.77 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 pt -96.68 134.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -107.92 129.27 55.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.248 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 32.8 p -106.88 147.43 35.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.513 1.797 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.7 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.5 0.19 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -88.14 -33.98 18.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -50.15 67.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -107.34 144.45 34.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -99.16 143.88 27.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.708 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -131.63 155.95 46.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.788 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.6 mt-10 -113.74 132.47 55.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.845 HG22 HD11 ' A' ' 53' ' ' LEU . 18.6 t -50.73 132.84 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 28' ' ' ARG . 17.3 pt -116.63 -36.76 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 26' ' ' LYS . 2.4 tp10 -133.17 150.07 52.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG13 HG23 ' A' ' 25' ' ' VAL . 48.8 t -121.44 135.0 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.843 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.51 111.57 23.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' ' HG3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -133.12 135.34 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -128.25 111.64 13.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -53.17 140.86 24.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.411 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.19 60.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.4 ttm 56.28 57.99 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p 44.07 -165.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.91 143.21 9.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -43.1 -59.07 2.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 37.4 t -118.93 144.56 26.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.802 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.0 tmm? -108.09 137.66 45.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.619 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -104.26 142.9 33.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.576 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -132.83 157.45 43.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' HD2' ' HB3' ' A' ' 11' ' ' GLU . 3.8 ttmt -107.61 124.75 50.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.901 ' SG ' HD11 ' A' ' 55' ' ' LEU . 15.5 p -129.31 146.62 51.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.614 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 ttm180 -112.82 139.9 48.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -59.18 118.88 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 ' HB2' ' A' ' 8' ' ' GLU . 16.9 mt -86.1 -24.32 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' O ' HG21 ' A' ' 5' ' ' THR . 16.8 p-10 -164.53 159.53 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' O ' ' HE2' ' A' ' 35' ' ' LYS . . . 143.98 -163.05 27.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -32.26 30.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.463 ' O ' ' O ' ' A' ' 35' ' ' LYS . 33.0 m-20 -83.92 -52.74 6.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 29' ' ' ILE . 1.9 ttmt 59.97 131.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.12 55.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.832 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -64.84 126.0 26.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.333 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -115.16 122.71 69.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HD3' ' A' ' 37' ' ' ARG . 3.2 mp -129.33 145.78 51.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.843 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -110.86 128.83 55.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.363 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -135.17 149.88 50.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 86.0 m-20 -88.11 124.46 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.48 ' O ' ' O ' ' A' ' 23' ' ' MET . 6.3 p -134.93 143.65 36.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.93 125.93 40.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.6 163.04 10.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 90.55 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.802 ' H ' ' HE1' ' A' ' 23' ' ' MET . 0.7 OUTLIER -125.44 121.99 61.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -130.01 165.59 21.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.03 134.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.94 -24.44 12.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -74.49 168.82 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 109.281 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.53 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -112.36 131.29 64.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.845 HD11 HG22 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -127.55 161.73 28.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.674 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 2.9 mmt -96.13 125.45 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.901 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -101.24 110.49 22.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.762 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -103.45 140.23 37.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.762 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.9 OUTLIER -55.27 123.19 12.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m -91.3 129.95 37.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -79.29 128.29 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 146.49 25.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -92.93 139.27 30.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.78 117.62 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.76 127.41 33.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -96.79 154.65 17.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -91.83 135.3 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.23 150.72 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.6 p -122.51 147.69 50.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.439 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.463 0.173 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -72.72 -32.17 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.82 172.96 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.525 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -86.13 142.71 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.508 HG21 ' O ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.66 146.88 32.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 109.8 3.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.734 ' HB3' ' CD2' ' A' ' 55' ' ' LEU . . . -130.81 157.04 43.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 29.4 mt-10 -113.18 132.98 55.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.896 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -49.32 133.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -116.63 -39.94 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.5 tt0 -130.24 150.23 51.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.652 HG13 HG23 ' A' ' 25' ' ' VAL . 21.9 t -119.78 140.19 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.894 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -105.79 108.59 20.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 155.83 47.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.11 106.2 9.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.5 m 66.25 -79.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.435 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.54 -84.67 0.26 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -170.43 124.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -158.09 137.05 11.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.69 -117.2 1.93 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 22' ' ' VAL . 13.5 pt-20 -156.97 -44.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 0.772 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 44' ' ' MET . 13.2 t -118.19 143.01 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.44 ' O ' ' O ' ' A' ' 43' ' ' VAL . 7.7 ttp -106.8 143.9 34.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.894 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -106.27 152.65 23.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.652 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -140.64 157.56 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.739 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.8 ttmt -109.4 128.91 55.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.964 ' SG ' HD11 ' A' ' 55' ' ' LEU . 17.0 p -136.66 129.88 31.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' CG ' HG13 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -96.48 139.64 32.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.53 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -53.66 135.24 15.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 17.0 mt -98.74 -23.85 15.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' O ' HG21 ' A' ' 5' ' ' THR . 2.2 p30 -165.71 147.93 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 146.16 174.75 18.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 tpt85 -61.36 -18.66 59.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.682 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.6 m-20 -110.3 5.64 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.6 ttpt -13.36 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.72 -9.91 18.97 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.102 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.2 ttt-85 -62.62 132.19 51.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.987 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.4 mp -116.86 131.6 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.987 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.7 mm? -138.82 157.5 45.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.66 140.12 49.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.96 148.21 43.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' HB2' HG12 ' A' ' 22' ' ' VAL . 11.2 p30 -96.22 121.13 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 23' ' ' MET . 1.4 p -138.92 132.3 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.829 ' HB2' HG22 ' A' ' 22' ' ' VAL . 7.7 ttt -82.67 125.8 31.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.27 162.19 9.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.18 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.782 HD11 ' OD2' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -125.82 122.9 63.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.26 164.87 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.572 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.96 133.96 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.55 -24.35 8.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.782 ' OD2' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -74.02 146.82 43.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.985 ' C ' HD23 ' A' ' 53' ' ' LEU . 2.4 mt -93.96 125.84 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -129.81 161.36 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.592 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -97.82 124.05 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.964 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.3 OUTLIER -101.32 110.63 22.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -105.63 145.18 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.22 122.32 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 p -83.64 121.14 26.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mt -83.16 123.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -72.11 149.63 44.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 150.18 26.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.87 132.4 41.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.95 122.33 42.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.09 146.36 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mt -94.18 132.55 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.4 143.93 25.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 71.7 p -106.26 147.55 35.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.48 0.181 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -80.45 -29.81 37.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -89.72 -41.3 11.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -118.4 145.19 45.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.948 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.19 141.47 22.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.396 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -74.97 110.13 3.06 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.732 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.54 156.49 44.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 51' ' ' ASP . 5.5 mm-40 -119.07 133.52 55.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.903 ' CG2' HD11 ' A' ' 53' ' ' LEU . 21.2 t -50.63 128.5 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 16.6 pt -109.2 -38.88 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 26' ' ' LYS . 15.1 tp10 -131.51 146.18 52.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -124.09 137.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -107.8 114.45 28.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -126.06 128.75 47.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' THR . 0.2 OUTLIER -128.24 101.95 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' MET . 4.1 m 39.52 92.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.18 87.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER 179.41 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 111.029 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -78.29 128.23 33.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.442 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.38 176.92 19.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -109.71 -57.74 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 110.299 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 1.7 m -113.27 144.35 21.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.608 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 2.4 tmm? -84.1 142.22 30.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.563 ' HG3' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -102.26 136.76 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -128.53 160.24 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' HG13 ' A' ' 9' ' ' VAL . 19.2 ttmt -110.29 138.08 47.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.468 ' HB2' HD23 ' A' ' 53' ' ' LEU . 28.4 p -139.7 143.57 37.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 108.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -115.27 139.11 50.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.4 mt -55.29 139.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' CD1' ' CG ' ' A' ' 8' ' ' GLU . 85.2 mt -109.8 -13.88 14.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -163.32 150.5 12.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 128.15 164.69 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -17.61 60.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 0.789 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' O ' ' C ' ' A' ' 35' ' ' LYS . 91.7 m-20 -99.43 9.11 43.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.1 ttmt -24.86 133.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.48 -8.66 79.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.68 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -62.54 127.01 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 0.786 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.851 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -119.15 125.55 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.851 HD12 ' C ' ' A' ' 38' ' ' ILE . 1.3 mp -133.29 136.26 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.826 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -105.22 137.32 43.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.06 155.34 44.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 2.4 m-80 -88.71 130.31 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.5 p -142.56 143.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.4 ttt -93.32 125.13 37.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.11 156.67 8.59 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.541 1.15 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 89.24 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.695 HD11 ' OD1' ' A' ' 51' ' ' ASP . 4.4 tt -125.69 123.0 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.05 165.09 21.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.66 132.29 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.24 -20.49 10.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.695 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -78.41 169.73 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.044 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.4 mp -103.17 146.43 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.044 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -139.36 163.0 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.616 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -116.23 123.39 47.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.948 HD23 HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -100.54 110.58 22.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.799 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.9 tm? -104.23 139.09 39.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.799 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p-10 -57.21 122.64 12.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.9 t -94.53 122.96 37.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -84.2 138.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.27 149.4 26.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -105.37 144.9 31.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.32 143.92 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 126.76 31.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -99.55 132.78 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.249 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.6 pt -89.5 135.13 26.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -71.6 135.19 46.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 67.7 p -94.59 147.66 33.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.421 1.748 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.517 0.199 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -34.35 16.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.86 -170.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -99.21 145.52 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.017 HG21 HD13 ' A' ' 29' ' ' ILE . 1.6 m -96.48 128.98 34.44 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.01 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 29' ' ' ILE . . . -126.54 156.09 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.584 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.5 mt-10 -117.39 135.16 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.851 HG22 HD11 ' A' ' 53' ' ' LEU . 21.4 t -48.53 132.87 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 11' ' ' GLU . 31.3 pt -115.33 -38.51 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG3' ' N ' ' A' ' 12' ' ' VAL . 4.6 tt0 -130.26 148.3 52.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG13 HG23 ' A' ' 25' ' ' VAL . 38.6 t -121.79 137.54 55.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -104.93 109.63 21.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 137.69 47.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.69 126.09 41.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.5 m -69.26 84.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.92 148.29 4.71 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.525 1.14 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.96 160.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -97.6 -62.92 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.375 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.58 -152.16 22.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -141.84 -47.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.979 HG22 ' HB3' ' A' ' 44' ' ' MET . 37.4 t -118.48 133.89 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.431 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -118.06 158.58 24.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.742 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -105.32 153.27 21.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.339 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.684 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -137.86 157.33 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.615 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 ttmm -110.25 129.21 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HB3' HD12 ' A' ' 53' ' ' LEU . 6.2 p -137.76 126.28 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.501 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -99.8 140.49 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.017 HD13 HG21 ' A' ' 5' ' ' THR . 1.0 OUTLIER -54.3 131.73 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 8' ' ' GLU . 71.3 mt -97.25 -20.54 17.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 5' ' ' THR . 8.7 p-10 -164.17 151.6 12.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.96 -173.83 22.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -74.01 -33.35 63.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.708 ' O ' ' C ' ' A' ' 35' ' ' LYS . 65.9 m-20 -88.76 -2.69 58.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.708 ' C ' ' O ' ' A' ' 34' ' ' ASP . 15.3 ttmt -2.89 105.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 115.73 -8.04 19.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.866 ' HD3' HD11 ' A' ' 39' ' ' LEU . 1.9 ttt180 -63.06 128.2 34.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.674 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.5 mp -117.03 125.95 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.043 HD13 HD12 ' A' ' 55' ' ' LEU . 6.1 mp -127.93 128.45 45.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.12 133.96 46.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.79 153.95 43.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' HB2' HG12 ' A' ' 22' ' ' VAL . 7.9 p-10 -87.58 120.39 28.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -132.31 138.07 53.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.979 ' HB3' HG22 ' A' ' 22' ' ' VAL . 4.3 ptt? -94.17 138.38 32.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 120.44 165.54 12.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.64 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.707 HD11 ' OD1' ' A' ' 51' ' ' ASP . 1.3 tt -126.34 121.95 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -130.35 165.36 22.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -36.38 129.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.94 -13.71 10.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.786 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.68 144.39 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.977 ' C ' HD23 ' A' ' 53' ' ' LEU . 29.2 mt -86.05 128.29 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.977 HD23 ' C ' ' A' ' 52' ' ' ILE . 1.6 mt -120.17 162.78 18.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.674 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.5 mmt -108.46 119.8 40.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.043 HD12 HD13 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -93.12 109.77 21.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.7 tm? -103.65 141.52 35.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.865 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p-10 -53.24 122.3 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.8 p -96.39 114.6 26.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 110.427 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 77.4 mt -72.12 121.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.22 155.96 23.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 148.48 45.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.07 124.31 40.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -99.09 124.82 44.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -95.58 148.19 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.8 mt -94.26 120.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.92 136.88 32.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.9 p -109.31 147.52 36.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.451 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HD11 ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.474 0.178 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' ALA . 4.3 t70 -103.65 -7.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.29 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' LEU . . . -123.97 147.2 47.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.677 HG22 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -97.9 131.1 27.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.858 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.95 157.12 43.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 39.4 mt-10 -109.12 132.88 53.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.834 ' CG2' HD11 ' A' ' 53' ' ' LEU . 39.1 t -53.74 121.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 28' ' ' ARG . 28.3 pt -99.26 -41.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 26' ' ' LYS . 9.2 tp10 -131.29 138.66 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.607 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -123.2 130.87 74.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.825 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -105.67 107.62 18.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.68 139.92 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 120.99 38.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m 57.15 105.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.9 147.7 50.21 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.8 mmt 56.31 56.64 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -102.78 -2.39 28.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 110.435 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.96 84.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 179.61 -164.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 42' ' ' ASN . 25.4 t -99.59 127.44 52.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.45 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -114.29 158.51 21.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.825 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.1 pt20 -104.52 156.31 18.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG23 ' CB ' ' A' ' 12' ' ' VAL . 1.0 OUTLIER -141.08 152.08 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 ttmm -108.77 135.39 50.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 30.4 p -139.77 136.5 34.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.512 ' HB2' HD13 ' A' ' 10' ' ' ILE . 1.3 tmm_? -110.19 136.39 49.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.025 HG12 HD22 ' A' ' 55' ' ' LEU . 1.3 mt -54.04 136.9 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 33.3 mt -102.84 -18.34 15.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -164.31 153.0 13.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.83 168.91 12.22 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -18.3 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' O ' ' C ' ' A' ' 35' ' ' LYS . 55.8 m-20 -102.83 10.93 38.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.583 ' C ' ' O ' ' A' ' 34' ' ' ASP . 9.3 ttmt -23.79 130.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 92.37 -9.57 75.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.731 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -63.11 126.5 27.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.817 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -115.63 135.38 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.817 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.5 mm? -133.83 146.23 50.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 133.31 54.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.16 156.06 44.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 2.7 m120 -87.14 120.33 28.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.9 p -131.71 141.39 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.9 ttp -97.63 126.29 42.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 134.46 158.26 8.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.157 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.739 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -126.54 125.23 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -127.12 158.41 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.4 131.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.65 -15.31 10.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.3 t70 -78.97 161.46 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.891 ' C ' HD13 ' A' ' 53' ' ' LEU . 1.5 mp -99.82 138.73 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.891 HD13 ' C ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.36 161.53 36.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.419 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 3.3 mmt -106.36 119.83 40.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.025 HD22 HG12 ' A' ' 29' ' ' ILE . 2.9 mp -100.95 110.83 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 1' ' ' MET . 3.0 tp -98.36 139.94 33.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -55.31 122.75 11.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -82.97 124.94 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.5 mm -76.76 139.58 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -86.1 123.39 31.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -96.69 136.66 36.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.61 143.3 28.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.82 124.52 33.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -95.58 156.49 16.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.79 140.74 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -95.22 136.83 35.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 54.9 p -86.43 147.51 44.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 ttm . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.513 0.197 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -94.3 -31.27 14.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.3 p-10 -56.8 -54.59 44.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.677 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -121.19 145.03 48.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 HG21 HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -98.76 144.69 28.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.95 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -128.95 155.36 45.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.722 ' HB2' HD11 ' A' ' 30' ' ' LEU . 2.4 mt-10 -114.64 131.8 56.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 51' ' ' ASP . 28.8 t -51.06 133.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 28' ' ' ARG . 40.9 pt -114.66 -40.46 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.147 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' ' CD1' ' A' ' 13' ' ' LEU . 4.3 tt0 -130.03 147.23 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.008 HG13 HG23 ' A' ' 25' ' ' VAL . 2.6 t -118.82 132.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.78 ' H ' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -109.76 103.72 12.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 136.61 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -127.1 107.51 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m 59.46 98.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.8 114.88 4.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.7 mtt -148.66 123.46 9.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.766 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m 59.46 156.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.424 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.59 106.05 0.7 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -132.81 178.12 7.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.007 HG13 ' HB2' ' A' ' 44' ' ' MET . 0.2 OUTLIER -99.43 125.65 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.413 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.22 160.61 24.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.063 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.707 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -103.52 148.93 25.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.008 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.98 156.11 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . 15.1 ttmt -110.67 127.15 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.644 ' SG ' HD11 ' A' ' 55' ' ' LEU . 7.2 p -133.69 135.49 44.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' HB2' HD13 ' A' ' 10' ' ' ILE . 2.3 tmm_? -105.83 139.27 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -52.33 133.96 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' ' 8' ' ' GLU . 18.7 mt -103.48 -14.35 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -165.15 149.83 9.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.66 163.96 11.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -18.19 60.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' O ' ' C ' ' A' ' 35' ' ' LYS . 72.9 m-20 -98.27 8.27 45.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' C ' ' O ' ' A' ' 34' ' ' ASP . 3.3 ttmt -23.8 131.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.42 -12.32 69.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.798 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -63.25 126.86 28.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.795 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -117.15 134.73 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.798 HD21 ' HD3' ' A' ' 37' ' ' ARG . 3.1 mm? -134.72 153.7 51.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.66 136.93 53.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -142.09 151.98 42.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -87.89 136.41 32.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 23' ' ' MET . 3.9 p -148.36 143.83 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 1.007 ' HB2' HG13 ' A' ' 22' ' ' VAL . 21.6 ttt -100.25 128.8 46.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 125.55 163.94 11.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.0 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.788 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.639 HD11 ' CG ' ' A' ' 51' ' ' ASP . 1.2 tt -124.46 124.9 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.29 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.17 137.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.92 -15.65 16.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.09 151.49 25.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 1.8 mp -85.54 137.97 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD13 ' CG2' ' A' ' 9' ' ' VAL . 0.7 OUTLIER -134.32 153.0 52.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.677 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.2 mmt -98.43 122.11 41.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.728 HD12 HD23 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -101.07 110.54 22.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 3' ' ' ASP . 5.5 tp -103.8 139.31 39.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.83 122.87 13.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 135.01 48.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.06 135.38 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.27 146.14 49.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 110.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.23 144.79 30.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.26 139.49 39.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.23 131.65 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -98.06 151.6 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 pt -75.48 139.36 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.4 ttt85 -71.38 146.48 48.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 75.8 p -121.18 147.6 47.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.47 0.176 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.88 -31.35 20.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -46.9 -64.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.494 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -88.36 145.47 25.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.586 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -98.87 141.76 23.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.72 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -135.73 157.3 47.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' HG3' HD12 ' A' ' 30' ' ' LEU . 32.0 mt-10 -117.35 132.93 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 53' ' ' LEU . 22.4 t -50.25 122.17 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.5 pp -102.41 -40.56 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.595 ' O ' ' N ' ' A' ' 26' ' ' LYS . 13.2 tp10 -130.9 142.81 50.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.718 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -122.78 139.5 49.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -102.88 111.1 23.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.98 124.94 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 121.77 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.4 m 66.59 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.3 119.94 1.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.47 -52.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -76.15 154.49 35.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.53 -110.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.27 -169.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -93.17 146.55 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.63 ' HG2' ' N ' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -107.26 145.84 32.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.798 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -99.51 137.62 37.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.232 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.655 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -135.83 160.28 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.8 ttmt -110.09 135.24 51.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.575 ' HB2' HD23 ' A' ' 53' ' ' LEU . 29.8 p -138.47 135.84 35.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CG ' HG13 ' A' ' 38' ' ' ILE . 4.7 tmm_? -106.53 139.1 41.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.514 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.3 mt -54.9 137.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD12 ' HG3' ' A' ' 8' ' ' GLU . 23.0 mt -104.96 -16.46 14.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.583 ' O ' HG21 ' A' ' 5' ' ' THR . 8.8 p-10 -164.5 154.42 14.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.22 171.94 13.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -18.16 64.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.2 m-20 -102.3 10.17 39.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.7 ttmt -23.35 131.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 90.99 -8.44 79.78 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.99 125.08 22.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.57 0.806 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG13 ' CG ' ' A' ' 28' ' ' ARG . 2.3 mp -117.3 129.77 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD21 HD12 ' A' ' 55' ' ' LEU . 1.2 pt? -142.96 144.15 32.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.466 ' O ' ' CD ' ' A' ' 41' ' ' ARG . 1.1 m -101.41 140.4 35.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.44 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' CZ ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -141.36 157.04 45.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' HB2' HG21 ' A' ' 22' ' ' VAL . 25.8 p-10 -85.53 121.49 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -124.01 131.35 73.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 15.1 ttp -92.24 119.91 32.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' O ' ' HE3' ' A' ' 23' ' ' MET . . . 122.35 168.14 13.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 91.61 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.54 HD11 ' OD1' ' A' ' 51' ' ' ASP . 10.9 tt -126.07 124.1 65.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.8 164.12 23.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.639 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.59 133.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.5 -21.42 11.66 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -74.95 167.81 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 0.717 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.2 mt -102.08 143.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.999 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -138.54 162.59 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.494 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 23.6 mmt -114.24 126.08 54.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.896 HD12 HD21 ' A' ' 39' ' ' LEU . 1.5 mm? -100.94 109.6 21.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -105.26 141.05 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.23 121.74 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 58' ' ' THR . 10.1 t -98.76 113.41 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 22.6 mt -72.75 142.67 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.7 138.88 31.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.32 139.93 38.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.33 125.93 35.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 129.28 35.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -103.24 117.22 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.5 pt -84.25 133.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.72 123.36 31.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 66.6 p -110.71 147.6 36.8 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.91 -34.12 24.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.79 -56.72 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.676 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -109.73 144.65 37.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -99.01 143.75 26.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 111.59 3.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -130.22 156.47 44.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.616 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.5 mt-10 -112.29 132.39 54.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.939 HG22 ' SG ' ' A' ' 27' ' ' CYS . 22.2 t -49.5 136.1 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.643 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.8 pp -116.07 -41.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.643 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.1 tt0 -131.08 150.94 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.901 HG13 HG23 ' A' ' 25' ' ' VAL . 5.6 t -122.89 121.58 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.745 ' CD1' ' CG2' ' A' ' 40' ' ' THR . 0.2 OUTLIER -107.26 105.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.78 160.52 37.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -130.99 114.97 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.6 t -110.85 152.81 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 165.15 -77.5 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 ttm -134.53 -50.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.761 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.3 p -106.4 140.76 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.44 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.33 103.32 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -107.34 -50.97 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.3 t -118.45 140.09 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.435 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -122.18 158.79 28.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.514 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 14.4 pt20 -114.11 157.67 22.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.901 HG23 HG13 ' A' ' 12' ' ' VAL . 1.6 p -134.63 151.4 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' GLU . 8.6 ttmt -105.83 123.66 48.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.939 ' SG ' HG22 ' A' ' 9' ' ' VAL . 15.3 m -128.8 136.63 50.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 108.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' HG13 ' A' ' 38' ' ' ILE . 3.5 tmm_? -107.62 138.43 43.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -54.77 138.01 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' A' ' 8' ' ' GLU . 34.1 mt -107.08 -19.56 13.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' O ' ' CG2' ' A' ' 5' ' ' THR . 8.6 p-10 -164.99 137.89 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.89 173.1 21.26 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -18.55 60.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.668 ' O ' ' C ' ' A' ' 35' ' ' LYS . 14.0 m-20 -109.68 8.45 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.668 ' C ' ' O ' ' A' ' 34' ' ' ASP . 5.9 ttpt -15.13 113.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.19 -9.48 31.26 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' HD3' HD21 ' A' ' 39' ' ' LEU . 1.7 ttt180 -62.83 130.71 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.995 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.9 mp -118.38 137.78 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.995 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -137.52 155.68 48.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.745 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -122.65 134.78 54.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.9 150.9 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -91.05 121.6 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.4 p -137.48 132.13 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 12.5 ttp -86.06 125.85 33.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 138.8 158.48 7.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.553 1.158 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 88.11 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.546 1.814 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 1.7 tt -126.06 124.62 66.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.522 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -127.65 164.03 22.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -39.9 135.24 1.32 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.98 -18.22 16.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.919 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -81.78 151.24 27.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 mp -85.76 138.22 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.624 HD22 ' SG ' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -135.97 160.73 37.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.676 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 6.5 mmt -104.19 124.47 49.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -101.54 109.26 21.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -105.21 139.84 39.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.68 122.96 13.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 t -73.35 141.85 47.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.431 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 56.3 mt -92.44 116.47 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.78 125.15 34.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.87 156.54 17.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 144.38 56.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.22 120.76 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -104.67 155.26 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 mt -77.5 117.85 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.01 119.58 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 64.8 p -92.32 147.56 34.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ttp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.473 0.178 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -104.68 -20.21 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 56' ' ' LEU . 0.8 OUTLIER -147.72 -70.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.754 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -85.09 147.5 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.717 HG22 ' HB2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -98.23 137.59 20.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.425 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.35 2.07 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.693 ' HB3' HD11 ' A' ' 55' ' ' LEU . . . -129.18 158.3 39.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HG3' HD12 ' A' ' 30' ' ' LEU . 39.7 mt-10 -115.58 133.59 55.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.996 ' CG2' HD11 ' A' ' 53' ' ' LEU . 19.6 t -52.42 129.9 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' A' ' 28' ' ' ARG . 27.4 pt -108.52 -40.28 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' A' ' 26' ' ' LYS . 11.6 tp10 -133.56 138.78 46.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.6 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -122.72 132.21 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.862 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -106.14 108.11 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.67 140.72 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.4 mtm-85 -103.15 143.71 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -38.51 -60.07 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.62 -131.17 1.68 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 ttt 57.37 88.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m 57.74 98.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.71 134.71 2.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 0.0 111.012 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -125.57 -43.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.611 HG22 ' HB2' ' A' ' 44' ' ' MET . 37.5 t -118.24 137.77 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -112.71 157.04 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.862 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.5 pt20 -104.59 157.93 16.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.568 ' HA ' HD22 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -139.99 157.31 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.657 ' N ' ' O ' ' A' ' 11' ' ' GLU . 23.7 ttmt -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.435 ' SG ' ' CZ ' ' A' ' 41' ' ' ARG . 31.0 p -139.21 132.7 30.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.277 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HB2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -105.83 138.61 41.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.561 HD13 HG21 ' A' ' 5' ' ' THR . 1.1 mt -55.55 137.38 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' ' 8' ' ' GLU . 24.4 mt -102.43 -17.91 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -164.56 152.45 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 131.08 166.0 11.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -17.2 61.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.586 ' O ' ' C ' ' A' ' 35' ' ' LYS . 27.4 m-20 -101.62 9.52 41.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.586 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -23.57 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.98 -9.85 75.7 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.122 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.796 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.29 128.37 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.331 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.566 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.9 mt -119.77 122.33 68.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.796 HD11 ' HD3' ' A' ' 37' ' ' ARG . 6.8 mp -121.85 123.95 42.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 ' C ' ' HG3' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -101.61 129.97 47.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.366 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -136.7 156.11 48.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -86.88 120.27 27.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 p -132.56 139.39 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.611 ' HB2' HG22 ' A' ' 22' ' ' VAL . 1.1 ttm -97.61 126.21 42.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 135.31 162.99 9.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 86.36 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' OD2' ' A' ' 51' ' ' ASP . 1.5 tt -126.32 122.94 62.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.52 160.68 31.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.318 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -35.47 137.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 114.76 -22.15 13.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -72.28 169.67 15.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.007 ' O ' HD13 ' A' ' 53' ' ' LEU . 3.9 mt -101.91 147.8 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.007 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -137.99 162.28 34.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.754 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.5 mmt -116.54 109.62 17.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.717 ' HB2' HG22 ' A' ' 5' ' ' THR . 2.4 mp -104.38 107.08 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.808 ' C ' HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -105.4 146.16 29.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.71 120.06 3.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -94.51 135.29 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.407 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.1 mt -104.49 130.56 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 148.59 49.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -101.1 157.22 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.42 116.62 15.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -82.57 137.7 34.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -104.05 148.97 25.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.77 146.48 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.98 119.27 32.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.0 p -95.33 147.48 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.467 0.175 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -104.97 -27.42 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.29 -59.56 5.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 54' ' ' MET . . . -116.53 146.67 42.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.892 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -97.4 150.22 36.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.65 13.48 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.633 ' CB ' HD21 ' A' ' 55' ' ' LEU . . . -153.0 159.7 42.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.513 ' HG3' HD12 ' A' ' 30' ' ' LEU . 53.8 mt-10 -120.57 132.42 55.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.929 HG21 HD11 ' A' ' 47' ' ' ILE . 11.1 t -51.59 121.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.489 HD13 ' HB2' ' A' ' 28' ' ' ARG . 31.0 pt -104.34 -40.01 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 26' ' ' LYS . 20.3 tp10 -132.27 144.71 50.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -124.43 134.52 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.74 117.19 33.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -132.16 120.61 22.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -92.17 113.66 25.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.2 m 60.67 158.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.12 61.17 4.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.13 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.4 ttt -132.03 134.12 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 19' ' ' THR . 19.9 m -93.06 64.2 3.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.44 -80.32 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -166.23 -59.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.76 HG12 ' ND2' ' A' ' 42' ' ' ASN . 26.1 t -114.35 134.88 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -122.19 159.21 27.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -110.15 137.01 48.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB ' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -125.53 161.06 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' HD3' HG21 ' A' ' 38' ' ' ILE . 18.7 ttmt -114.67 132.61 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -138.31 135.35 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.304 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HG2' ' N ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -104.59 140.04 38.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.499 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 1.4 mt -52.94 141.82 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.513 HD12 ' HG3' ' A' ' 8' ' ' GLU . 13.5 mt -109.82 -13.88 14.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -163.51 149.96 11.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 126.39 161.92 11.08 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -18.33 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 88.7 m-20 -95.36 6.04 50.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 1.1 ttmt -24.29 134.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.475 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 89.81 -9.4 77.36 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.673 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -64.35 126.39 27.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.823 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.7 mp -114.89 137.23 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 38' ' ' ILE . 3.6 mm? -133.7 148.54 51.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.754 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.97 127.02 49.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' CD ' ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER -141.45 155.79 45.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.76 ' ND2' HG12 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -87.73 122.3 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' MET . 5.7 p -130.65 146.88 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.416 ' HB2' HG22 ' A' ' 22' ' ' VAL . 1.8 tmt? -100.74 126.93 47.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 132.9 154.64 7.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.28 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.929 HD11 HG21 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -128.4 124.93 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -128.26 164.24 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.558 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -31.06 130.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 119.85 -18.7 9.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -82.03 169.56 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 53' ' ' LEU . 10.9 mt -97.62 141.11 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -139.32 161.81 36.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.571 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -117.5 137.43 52.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.892 HD23 HG22 ' A' ' 5' ' ' THR . 1.0 OUTLIER -102.7 109.91 21.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.3 tm? -104.25 139.47 39.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.674 ' N ' HD13 ' A' ' 56' ' ' LEU . 5.3 m-20 -55.67 123.5 14.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.7 t -83.3 118.65 23.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.71 126.6 33.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.01 129.11 34.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -73.57 145.05 45.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.79 115.76 23.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -81.85 121.61 26.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.05 134.03 40.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.08 120.91 55.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -75.47 123.34 25.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 69.5 p -93.81 147.52 33.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.405 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.482 0.182 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.39 -26.17 12.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.0 -63.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' HB1' ' CB ' ' A' ' 54' ' ' MET . . . -92.8 146.1 23.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' MET . 0.3 OUTLIER -96.64 151.48 37.96 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -75.02 106.65 2.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.593 ' HB1' ' SG ' ' A' ' 27' ' ' CYS . . . -129.13 159.19 36.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.754 ' HB2' HD11 ' A' ' 30' ' ' LEU . 7.7 mt-10 -120.66 133.77 55.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.806 ' CG2' HD13 ' A' ' 53' ' ' LEU . 3.2 t -53.72 124.91 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 8' ' ' GLU . 1.7 pp -112.21 -38.4 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.667 ' O ' ' N ' ' A' ' 26' ' ' LYS . 19.9 tp10 -136.66 134.11 36.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -119.31 133.59 65.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.907 HD23 ' HG3' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -108.23 107.96 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -133.73 132.44 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -125.95 148.52 49.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.2 m 66.57 -74.95 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 142.17 -155.18 25.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.8 mtp -53.8 -176.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m 58.63 113.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 127.71 -156.95 20.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.52 -171.54 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.5 m -86.28 144.06 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.433 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -84.33 158.93 21.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.907 ' HG3' HD23 ' A' ' 13' ' ' LEU . 1.4 pt20 -104.72 157.23 17.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -139.39 162.53 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.667 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 ttmt -125.14 132.48 53.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB1' ' A' ' 7' ' ' ALA . 8.8 t -138.61 131.0 28.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.474 ' HG3' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -94.08 138.81 31.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.2 mt -54.32 138.96 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 8' ' ' GLU . 12.6 mt -108.73 -13.25 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -164.02 148.51 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.17 164.29 11.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -17.65 56.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.596 ' O ' ' C ' ' A' ' 35' ' ' LYS . 93.9 m-20 -101.58 9.75 40.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.596 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.9 ttmt -23.65 131.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.44 -9.42 77.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.648 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -63.63 129.12 38.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.269 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.896 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.2 mp -118.83 133.88 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.6 mm? -132.88 156.49 47.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.16 133.29 54.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.71 155.03 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.2 p-10 -89.13 131.12 35.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 23' ' ' MET . 7.6 p -146.56 134.77 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 3.3 ttt -91.97 125.99 36.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 136.88 161.0 8.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 88.07 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -125.99 123.07 63.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.58 158.79 37.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.601 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -42.44 139.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 9' ' ' VAL . . . 116.47 -18.91 13.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.634 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -83.37 171.33 13.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.756 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.3 mp -101.51 125.55 55.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.806 HD13 ' CG2' ' A' ' 9' ' ' VAL . 8.0 mp -131.72 139.49 49.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.623 ' CB ' ' HB1' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -89.98 138.37 31.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD12 HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -101.87 111.03 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.1 tm? -90.44 139.8 30.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' N ' HD13 ' A' ' 56' ' ' LEU . 9.2 t70 -55.72 122.7 12.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.48 123.33 41.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.71 ' C ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -80.75 120.57 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' CD ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -96.64 127.55 42.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.0 130.37 41.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.75 135.91 41.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 126.96 42.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.85 153.94 18.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 68.6 mt -84.39 129.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.43 124.41 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 49.7 p -118.66 147.66 42.59 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.379 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.524 0.202 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -31.71 9.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.39 -66.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.591 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -97.59 144.71 26.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -101.55 142.17 24.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.797 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -129.04 157.9 40.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' HG3' HD12 ' A' ' 30' ' ' LEU . 30.8 mt-10 -117.63 133.16 56.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.244 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.786 ' CG2' HD11 ' A' ' 53' ' ' LEU . 48.8 t -50.61 139.16 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' GLU . 2.6 pp -116.04 -40.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' A' ' 26' ' ' LYS . 7.3 tt0 -130.21 149.56 51.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 25' ' ' VAL . 3.6 t -122.43 126.56 74.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.62 ' CD1' HG21 ' A' ' 40' ' ' THR . 0.2 OUTLIER -108.04 105.86 15.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.44 153.24 51.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.6 116.86 17.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 48.1 p -63.8 111.76 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.63 -159.44 38.37 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.4 ttm 61.65 66.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 0.721 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.68 130.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.23 -100.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.31 -178.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 42' ' ' ASN . 1.1 m -90.19 144.71 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.412 ' SD ' ' O ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -88.08 157.54 18.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.5 pt20 -105.23 153.1 22.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 12' ' ' VAL . 1.4 p -132.46 150.16 33.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.653 ' O ' HG13 ' A' ' 9' ' ' VAL . 6.0 ttmm -105.38 131.46 52.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HB2' HD23 ' A' ' 53' ' ' LEU . 15.9 p -138.9 140.01 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 108.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -108.16 140.47 41.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.525 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.4 mt -55.3 136.82 17.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.523 HD12 ' HG3' ' A' ' 8' ' ' GLU . 28.1 mt -105.17 -14.3 15.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' O ' HG21 ' A' ' 5' ' ' THR . 0.0 OUTLIER -164.39 148.97 9.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 130.02 163.41 11.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -18.19 61.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' O ' ' C ' ' A' ' 35' ' ' LYS . 6.1 m-20 -96.92 7.25 47.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.2 ttmt -23.21 132.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 28' ' ' ARG . . . 90.93 -9.05 78.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.457 HH12 HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -62.99 124.18 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 110.325 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 28' ' ' ARG . 2.4 mp -117.6 132.14 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.872 HD21 HD12 ' A' ' 55' ' ' LEU . 0.7 OUTLIER -142.46 142.24 32.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.62 HG21 ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.2 139.24 36.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.61 148.75 50.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' HB2' ' CG2' ' A' ' 22' ' ' VAL . 3.7 p-10 -87.47 120.34 28.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -138.08 133.32 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.496 ' HB2' ' CG1' ' A' ' 22' ' ' VAL . 2.8 ttt -94.55 126.72 40.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SD ' ' A' ' 23' ' ' MET . . . 130.93 168.59 12.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' O ' ' NH1' ' A' ' 48' ' ' ARG . 18.3 Cg_endo -75.02 89.81 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.541 1.811 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.692 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -125.5 124.03 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.237 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -128.32 164.82 21.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -38.91 137.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.25 -27.73 7.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.692 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -65.53 157.3 30.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.921 ' O ' HD13 ' A' ' 53' ' ' LEU . 2.4 mp -93.4 139.89 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.921 HD13 ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.02 162.4 32.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.591 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 1.9 mmt -112.01 124.29 52.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HD21 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -100.73 108.23 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.446 HD13 ' N ' ' A' ' 57' ' ' ASP . 2.4 tm? -106.0 141.28 37.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' N ' HD13 ' A' ' 56' ' ' LEU . 9.3 t70 -52.4 120.59 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' THR . 8.1 t -100.26 109.93 22.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.94 146.68 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 136.6 49.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -100.08 150.39 22.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.71 126.82 31.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.9 120.25 16.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -104.79 138.01 41.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.9 mt -76.98 110.11 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.46 144.25 26.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 66.3 p -118.97 147.59 42.83 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpp? . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.508 0.194 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -27.95 15.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -44.49 -59.85 2.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 55' ' ' LEU . . . -114.04 146.1 40.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.933 HG21 HD13 ' A' ' 29' ' ' ILE . 88.8 m -96.37 127.13 41.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 124.14 8.39 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.521 1.8 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -146.24 157.94 43.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HB2' HD11 ' A' ' 30' ' ' LEU . 5.9 mm-40 -100.73 133.43 45.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.677 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.7 t -50.12 132.28 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -114.66 -40.09 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 26' ' ' LYS . 14.8 tp10 -132.3 143.66 50.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG12 ' HG2' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -123.95 133.56 68.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.742 HD11 ' CG2' ' A' ' 40' ' ' THR . 0.3 OUTLIER -105.99 114.28 28.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.59 113.48 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.97 126.47 51.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m -51.33 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 38.72 -136.36 1.11 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -179.45 69.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 0.724 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -174.91 162.37 3.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.54 -170.56 44.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -136.28 -53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 42' ' ' ASN . 2.7 m -99.42 144.53 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.6 ' HE1' ' H ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -84.99 160.37 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.006 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -104.68 137.74 42.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG23 ' HB ' ' A' ' 12' ' ' VAL . 1.1 p -125.77 157.05 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.609 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.8 ttmt -111.79 135.45 52.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 55' ' ' LEU . 14.3 p -139.62 135.42 33.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.731 ' O ' ' HB1' ' A' ' 7' ' ' ALA . 3.7 tmm_? -104.04 138.52 40.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD13 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -53.84 141.37 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 8' ' ' GLU . 39.3 mt -110.1 -15.23 14.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.514 ' O ' ' CG2' ' A' ' 5' ' ' THR . 19.3 m-20 -163.79 152.43 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . 129.29 165.81 11.78 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -62.51 -17.03 58.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.573 ' O ' ' C ' ' A' ' 35' ' ' LYS . 25.4 m-20 -103.38 10.78 37.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' C ' ' O ' ' A' ' 34' ' ' ASP . 6.5 ttmt -25.77 135.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.87 -9.52 76.18 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.602 ' HD3' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -63.17 127.91 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.972 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.3 mp -116.68 131.54 68.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.972 HD22 ' C ' ' A' ' 38' ' ' ILE . 2.4 mm? -135.9 155.2 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.742 ' CG2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -121.45 133.92 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -142.57 156.11 45.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 22' ' ' VAL . 7.7 m-80 -86.42 119.64 26.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG11 HG21 ' A' ' 47' ' ' ILE . 7.7 p -123.98 146.24 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.455 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -101.81 137.93 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' ' HE1' ' A' ' 23' ' ' MET . . . 110.65 169.06 19.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.752 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 ' H ' ' HE1' ' A' ' 23' ' ' MET . 1.1 tt -125.93 121.11 58.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -131.2 165.3 23.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.609 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.41 137.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.05 -21.47 27.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -78.08 -179.52 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.821 ' O ' HD12 ' A' ' 53' ' ' LEU . 2.7 mp -112.46 133.08 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 52' ' ' ILE . 7.0 mp -135.59 160.19 39.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.519 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.9 mmt -95.16 129.22 42.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.677 HD11 ' SG ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -99.84 109.56 21.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.0 tm? -104.89 139.59 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.778 ' N ' HD13 ' A' ' 56' ' ' LEU . 80.8 m-20 -69.59 122.41 19.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.2 t -72.54 126.68 30.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.356 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.8 tp -77.7 131.12 35.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -99.5 155.47 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.53 136.78 38.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.12 134.48 34.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 124.13 28.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.38 136.56 33.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.01 145.89 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -97.6 144.01 27.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.3 p -122.98 147.64 51.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.526 0.203 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -92.66 -34.72 13.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -46.9 -58.8 3.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 54' ' ' MET . . . -97.16 146.63 24.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.912 HG21 HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -97.28 140.14 21.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.401 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.41 16.55 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 52' ' ' ILE . . . -152.21 156.9 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.549 ' HG3' HD12 ' A' ' 30' ' ' LEU . 40.5 mt-10 -111.34 132.88 54.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.908 HG22 HD11 ' A' ' 53' ' ' LEU . 21.7 t -50.41 132.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 24.7 pt -115.66 -38.17 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' LYS . 10.4 tt0 -130.54 149.7 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.844 ' C ' HD13 ' A' ' 13' ' ' LEU . 21.9 t -118.32 138.76 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.844 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -105.02 108.53 20.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.54 130.95 41.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.54 135.29 52.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.8 m -83.38 113.93 21.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.453 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' O ' ' CG ' ' A' ' 18' ' ' MET . . . 119.91 -151.44 17.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.496 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 7.8 ptt? 43.41 -167.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -142.04 94.3 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.14 116.53 5.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.3 -50.83 72.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.851 HG22 ' HG3' ' A' ' 44' ' ' MET . 39.9 t -115.49 143.84 24.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.565 ' HE3' ' H ' ' A' ' 47' ' ' ILE . 3.3 tmm? -86.4 140.26 30.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.634 ' HG3' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -104.04 140.25 38.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.667 HG23 HG13 ' A' ' 12' ' ' VAL . 1.5 p -128.3 157.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' HB2' HD11 ' A' ' 13' ' ' LEU . 19.9 ttmt -106.57 131.26 53.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.461 ' SG ' HD21 ' A' ' 55' ' ' LEU . 19.4 p -138.7 125.04 20.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.288 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 2.1 ttm180 -94.03 138.64 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.912 HD13 HG21 ' A' ' 5' ' ' THR . 0.4 OUTLIER -49.68 141.52 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' HG3' ' A' ' 8' ' ' GLU . 14.0 mt -106.31 -29.92 9.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 5' ' ' THR . 0.0 OUTLIER -167.2 128.13 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 169.78 -174.33 44.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -63.95 -30.04 71.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' ' O ' ' A' ' 35' ' ' LYS . 3.7 m-20 -88.28 -38.96 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' O ' ' O ' ' A' ' 34' ' ' ASP . 17.8 ttmt 38.3 95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.06 -5.26 20.12 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.494 ' CB ' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -61.18 130.27 45.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.979 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 mt -118.47 120.47 64.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.979 HD22 ' C ' ' A' ' 38' ' ' ILE . 1.8 mm? -140.67 158.35 44.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.642 HG22 HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.22 133.01 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.452 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.27 143.42 47.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.661 ' ND2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -86.83 124.73 33.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.621 ' CG1' HG21 ' A' ' 47' ' ' ILE . 2.1 p -144.03 131.38 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.851 ' HG3' HG22 ' A' ' 22' ' ' VAL . 1.2 ttp -96.77 125.96 41.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.15 176.45 14.69 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 90.66 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.441 1.758 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.81 HD11 ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -126.14 122.42 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -129.98 164.26 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -34.62 134.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.89 -21.51 10.32 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.81 ' OD1' HD11 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -77.48 157.26 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.962 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.1 mt -102.45 130.28 52.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.962 HD23 ' C ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -130.97 161.37 32.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.489 ' C ' HD22 ' A' ' 55' ' ' LEU . 3.2 mmt -98.45 127.61 44.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -99.01 110.12 22.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.66 HD13 ' N ' ' A' ' 57' ' ' ASP . 3.1 tm? -103.58 140.06 38.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.66 ' N ' HD13 ' A' ' 56' ' ' LEU . 1.1 p30 -56.07 122.86 12.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.6 t -72.38 131.63 42.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.356 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mm -105.95 140.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.87 153.24 43.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -104.95 137.67 42.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.06 127.49 41.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 122.62 24.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -101.01 147.44 26.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.47 124.92 45.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -95.36 141.46 28.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 82.1 p -124.3 147.66 55.62 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.379 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 tpt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 -35.05 7.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -42.75 162.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.604 ' HB3' ' SD ' ' A' ' 54' ' ' MET . . . -87.31 145.4 26.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.804 HG22 HD23 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -99.16 141.69 23.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.555 1.818 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.738 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -134.53 156.32 48.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 30' ' ' LEU . 35.1 mt-10 -115.59 132.52 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.699 ' CG2' HD13 ' A' ' 53' ' ' LEU . 25.9 t -50.83 132.29 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 19.9 pt -115.07 -37.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' ' 13' ' ' LEU . 21.3 tp10 -129.07 149.52 50.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.096 HG13 HG23 ' A' ' 25' ' ' VAL . 3.3 t -121.94 133.29 68.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.965 HD13 ' C ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -110.31 103.9 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.62 160.85 37.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.54 117.69 23.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.1 p 43.1 -164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.25 -172.86 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 100.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -135.93 161.95 34.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.44 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.52 -125.14 7.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -143.63 -62.32 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 44' ' ' MET . 24.9 t -117.37 141.49 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.501 ' O ' ' O ' ' A' ' 43' ' ' VAL . 3.0 tmm? -98.66 142.4 30.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG3' HD23 ' A' ' 13' ' ' LEU . 8.4 pt20 -104.28 147.14 27.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.096 HG23 HG13 ' A' ' 12' ' ' VAL . 1.2 p -130.51 158.09 42.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.886 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.0 ttmm -110.88 134.37 52.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.713 ' SG ' HD11 ' A' ' 55' ' ' LEU . 12.4 p -138.66 133.77 32.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.254 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -100.17 139.01 36.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG22 ' HA ' ' A' ' 35' ' ' LYS . 1.1 mt -55.55 137.31 17.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD1' ' HG3' ' A' ' 8' ' ' GLU . 68.2 mt -106.99 -14.33 14.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 5' ' ' THR . 5.9 m-20 -164.76 152.48 11.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 128.44 164.94 11.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.102 . . . . 0.0 111.04 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -18.47 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.592 ' O ' ' C ' ' A' ' 35' ' ' LYS . 20.0 m-20 -99.38 9.1 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' C ' ' O ' ' A' ' 34' ' ' ASP . 4.1 ttmt -23.21 131.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.81 -10.52 74.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.846 ' HD3' HD11 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -63.37 128.4 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.706 HG21 ' HD3' ' A' ' 26' ' ' LYS . 2.9 mt -116.89 122.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.846 HD11 ' HD3' ' A' ' 37' ' ' ARG . 4.8 mp -123.37 157.49 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.61 140.44 48.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.67 147.19 40.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -93.47 120.78 34.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' O ' ' O ' ' A' ' 23' ' ' MET . 2.0 p -136.52 130.29 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.596 ' HB3' HG22 ' A' ' 22' ' ' VAL . 4.9 ptm -85.99 132.16 34.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.3 167.04 12.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 91.15 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.837 HD11 ' CG ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER -124.27 124.66 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' CD ' ' N ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -127.84 164.28 22.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.599 ' HA ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -37.39 139.43 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.1 -20.97 11.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.837 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -76.04 157.1 33.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 0.802 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.4 mt -94.72 126.1 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD13 ' CG2' ' A' ' 9' ' ' VAL . 5.9 mp -119.33 161.62 20.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.604 ' SD ' ' HB3' ' A' ' 4' ' ' ALA . 2.3 mmt -112.89 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.804 HD23 HG22 ' A' ' 5' ' ' THR . 0.8 OUTLIER -100.2 109.27 21.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.602 HD22 ' N ' ' A' ' 57' ' ' ASP . 2.2 tm? -105.5 131.29 53.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.602 ' N ' HD22 ' A' ' 56' ' ' LEU . 33.6 t70 -56.21 122.3 11.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.1 t -86.17 135.1 33.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.03 136.94 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.235 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.46 132.45 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.22 143.95 42.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.85 129.43 37.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -95.45 124.17 39.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.83 124.22 32.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 pt -86.27 144.66 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -71.91 139.15 48.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 68' ' ' PRO . 71.9 p -103.53 147.62 34.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.365 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 67' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 stop_ save_