data_1veh_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 1veh _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 ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' ASP . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.585 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' ARG . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' GLU . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' VAL . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' OE2' ' CG ' ' A' ' 48' ' ' ARG . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.503 HD11 ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 30' ' ' VAL . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.641 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 39' ' ' TYR . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 1.4 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 83' ' ' VAL . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 9.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' MET . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' N ' ' A' ' 38' ' ' ILE . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' CE2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 47' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 48' ' ' ARG . 17.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.411 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.444 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASP . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 29' ' ' THR . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 44.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' CD1' ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 18' ' ' ILE . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.494 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 22' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 26.5 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 24' ' ' THR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.441 HG21 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' CD ' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' CB ' ' HG3' ' A' ' 85' ' ' GLN . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG2' ' HG2' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 3.3 m . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' LYS . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 21' ' ' LEU . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASP . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.519 HG22 ' CE2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.452 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 47' ' ' VAL . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.51 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 34.2 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' ASP . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 72' ' ' MET . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLU . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 72' ' ' MET . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 84' ' ' GLU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 14.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 76' ' ' TYR . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD12 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' CD ' HG21 ' A' ' 38' ' ' ILE . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE1' ' HA2' ' A' ' 45' ' ' GLY . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' ASP . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 26' ' ' ILE . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' MET . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG11 ' CG ' ' A' ' 70' ' ' GLN . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 5.4 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.454 ' HE2' ' CD1' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 18' ' ' ILE . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 82' ' ' GLY . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 39' ' ' TYR . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.419 ' CE ' HD11 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.42 ' N ' HD11 ' A' ' 46' ' ' ILE . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 84' ' ' GLU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' LEU . 33.2 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 HD12 ' CE2' ' A' ' 42' ' ' PHE . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD13 ' CE ' ' A' ' 72' ' ' MET . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.49 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.417 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CE2' HD12 ' A' ' 18' ' ' ILE . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' CA ' HG22 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 81' ' ' GLU . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 4.7 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' ASP . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 44' ' ' ASP . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.42 ' CG2' ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' CA ' HG21 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.439 ' OE1' ' NE2' ' A' ' 74' ' ' GLN . 3.6 tt0 -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.9 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HG3' ' CG2' ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.445 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 15.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.533 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 ' C ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.464 HD12 ' CE ' ' A' ' 72' ' ' MET . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 35' ' ' GLY . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' CA ' HG11 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 22' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' HG21 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CA ' HG21 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 6.6 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 12.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.42 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.515 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 11.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 17' ' ' MET . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ASP . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 38' ' ' ILE . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HG21 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.584 HG21 ' CE1' ' A' ' 42' ' ' PHE . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.46 ' CD ' HG13 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 3.8 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG13 ' CD ' ' A' ' 48' ' ' ARG . 3.3 m . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' ASP . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' ASP . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 16.8 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 38' ' ' ILE . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CD2' HG23 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CB ' HD13 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 47' ' ' VAL . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.518 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.537 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CD1' ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' CA ' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD11 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 14.8 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASP . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CD1' ' CE ' ' A' ' 72' ' ' MET . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 12.0 tp . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' CG ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.54 ' CE ' ' CD1' ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASN . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 77' ' ' ILE . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' CG ' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 42' ' ' PHE . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' ASP . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 29' ' ' THR . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 32.7 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' LYS . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 18' ' ' ILE . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.552 ' CG1' ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' CD1' ' CG1' ' A' ' 47' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' ASP . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 9.9 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 m . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.567 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.466 ' CG ' ' HA2' ' A' ' 82' ' ' GLY . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 70' ' ' GLN . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.499 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG21 ' CG ' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.543 ' C ' ' O ' ' A' ' 23' ' ' ASP . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' ASP . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.6 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ASP . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -141.77 -55.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.55 113.5 2.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -172.05 93.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.33 117.82 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 148.86 11.65 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -99.99 174.12 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.0 78.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.85 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -74.89 144.49 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' ASP . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.585 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 40' ' ' ARG . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.2 OUTLIER -99.55 159.06 15.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.48 121.67 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 132.87 5.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -96.99 -46.06 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 0.799 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.27 99.86 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -73.88 -23.83 59.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.35 57.23 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m 66.66 147.77 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.04 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 m -39.84 -53.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.2 t -56.71 -44.03 81.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -62.81 -56.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.415 ' N ' HG22 ' A' ' 62' ' ' ILE . 39.3 mt -63.67 -12.24 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -92.0 -50.99 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.6 mt -94.55 -62.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.1 -64.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -62.82 -44.44 96.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.78 -39.92 17.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.5 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' HG3' ' CG2' ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 81' ' ' GLU . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 80' ' ' VAL . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' OE2' ' CG ' ' A' ' 48' ' ' ARG . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.5 m -68.49 137.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.53 96.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.53 173.13 33.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 121.49 6.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.6 115.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -114.81 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -156.89 163.09 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.061 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.03 141.63 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.93 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 73.04 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.01 167.74 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.17 161.17 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 99.73 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -84.3 -59.23 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.59 -147.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -104.09 168.02 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.503 HD11 ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 30' ' ' VAL . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.449 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.641 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 39' ' ' TYR . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 52' ' ' GLN . 1.4 tp -88.41 137.81 31.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.466 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.48 173.52 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.59 149.52 6.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.3 m -90.15 -46.88 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -101.84 -25.6 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t 68.85 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -161.34 159.5 23.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.22 18.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.565 1.824 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -58.04 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -50.5 -36.62 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -67.1 -55.97 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' N ' HG23 ' A' ' 62' ' ' ILE . 59.8 mt -62.93 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -94.34 -45.43 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.38 -64.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.13 -59.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -64.54 -47.78 77.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.91 -49.76 22.4 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 83' ' ' VAL . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 9.3 m -49.97 132.85 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 76.9 p -141.01 158.23 44.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.967 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.87 -152.78 5.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -63.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 t -153.85 153.32 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.6 t -83.02 75.13 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.944 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.02 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -110.54 132.48 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.9 160.68 24.53 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.4 142.36 43.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -168.38 105.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -157.77 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 m -68.32 -59.55 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.97 76.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.86 83.05 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.81 151.97 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 17' ' ' MET . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' N ' ' A' ' 38' ' ' ILE . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.523 ' CE2' ' CG2' ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' CE2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' CG ' HG12 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.89 150.85 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.8 125.84 11.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.6 -138.95 8.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.5 t -97.13 -38.33 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.8 p 178.71 166.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.341 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -106.25 11.71 30.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.336 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -46.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.14 112.04 38.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -23.64 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -71.33 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -43.66 -38.13 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.943 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.1 mt -66.17 -57.56 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' N ' HG22 ' A' ' 62' ' ' ILE . 89.8 mt -62.41 -13.33 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -92.22 -48.61 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LYS . 1.6 mt -93.63 -64.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.11 -63.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -47.37 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.69 -38.3 3.06 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 47' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.474 HG12 ' CG ' ' A' ' 48' ' ' ARG . 17.3 m -65.03 145.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m 53.89 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.5 75.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.25 91.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 60.57 84.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -150.34 166.53 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 102.34 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 168.68 23.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -112.47 97.97 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -162.63 149.89 13.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.382 1.051 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.03 162.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 m -86.38 -59.86 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.32 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.98 72.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 159.11 12.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.411 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.444 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CD2' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 23' ' ' ASP . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 29' ' ' THR . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 44.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.43 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' CD1' ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.444 ' CE2' HD13 ' A' ' 18' ' ' ILE . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.494 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 tp -76.88 124.89 28.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.92 119.11 3.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.09 -148.63 5.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.08 -16.45 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.978 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.02 40.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -123.65 -1.46 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.162 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.75 13.14 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.29 137.45 30.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -35.41 3.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' THR . 54.0 m -62.22 -70.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' SER . 60.6 m -38.72 -38.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -75.57 -52.29 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.92 -15.49 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.2 m -89.46 -51.97 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 33' ' ' ASP . 3.6 mp -91.02 -64.62 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.53 -63.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -60.26 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.51 -53.63 2.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 ' CD2' ' A' ' 22' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 26.5 m -62.85 101.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 146.36 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.66 -171.62 13.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.65 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 155.06 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.8 p -141.45 153.32 44.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -144.78 148.53 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -122.29 149.42 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -116.05 91.69 0.55 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.6 -82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.5 t -116.04 92.58 3.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.33 -124.48 27.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 m -92.33 175.45 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.953 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 77.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 87.9 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.23 137.84 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 24' ' ' THR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 52' ' ' GLN . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' CG2' ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.441 HG21 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' CD ' HG21 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.489 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' CB ' ' HG3' ' A' ' 85' ' ' GLN . 0.6 OUTLIER -75.96 129.37 36.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' O ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -159.46 118.7 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.89 -154.45 8.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 m -92.65 -37.66 12.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 p -168.94 156.45 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 57' ' ' SER . 13.2 t -80.32 -25.15 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' N ' HG21 ' A' ' 56' ' ' THR . 0.8 OUTLIER 70.62 -61.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.2 m -164.89 152.92 10.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.56 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -56.53 -60.66 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -42.21 64.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.981 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -63.34 -53.74 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.24 -12.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -95.43 -43.53 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -93.48 -64.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -45.1 -65.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -53.28 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 -37.02 5.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG2' ' HG2' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 3.3 m -50.45 110.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -73.66 148.86 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.31 83.0 0.16 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 98.96 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.389 1.731 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.93 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.3 t 63.85 136.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -118.12 105.76 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.082 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -138.44 111.46 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.65 111.33 1.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.66 163.27 37.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 56.38 169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 -105.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -88.51 -52.61 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -154.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.32 97.45 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.0 161.46 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 19' ' ' LYS . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD22 ' CG2' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 33' ' ' ASP . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 ' N ' HD13 ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.532 ' CE1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD11 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 150.86 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.81 123.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 -179.66 16.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.098 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -89.19 -23.18 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 44.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -106.6 -4.74 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -71.7 -18.0 62.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.21 126.7 24.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 108.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -16.45 20.3 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.384 1.053 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -37.76 87.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 mt -63.5 -61.88 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 67' ' ' SER . 80.9 mt -56.81 -16.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -90.0 -42.57 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.46 -67.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -42.92 -63.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -51.46 -52.05 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.86 -41.93 21.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 21' ' ' LEU . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.469 ' CB ' HD12 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.464 ' CA ' HD11 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 27.0 m -70.57 101.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -62.5 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.71 170.76 47.43 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.43 129.5 15.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.97 106.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.983 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 129.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 133.86 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.48 129.15 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -58.55 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m 58.96 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.09 118.35 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.17 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -101.43 112.93 25.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 0.703 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.13 79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.8 79.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.208 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.01 142.53 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASP . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CE2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.519 HG22 ' CE2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.36 149.77 22.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.85 142.52 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.29 47.88 1.03 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -94.45 -38.26 11.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 69.8 144.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -115.6 7.42 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.98 -50.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.69 139.06 28.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -34.56 3.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.6 OUTLIER -46.73 -61.04 2.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -48.99 -40.25 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.8 mt -65.13 -59.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 ' N ' HG22 ' A' ' 62' ' ' ILE . 35.6 mt -61.86 -13.59 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -87.5 -55.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -93.33 -60.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.97 -62.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -65.33 -47.81 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.42 -57.01 6.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.452 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 47' ' ' VAL . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.51 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 34.2 m -63.88 139.49 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t 71.71 78.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.52 -160.69 9.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.15 13.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -145.61 159.02 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.6 m 61.85 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -65.88 171.66 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -167.41 107.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.2 69.52 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -144.79 114.77 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -171.21 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.88 -155.25 23.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -93.63 -59.18 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -178.15 103.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 75.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.18 157.93 16.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.526 ' C ' ' O ' ' A' ' 23' ' ' ASP . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' CE ' ' A' ' 72' ' ' MET . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.46 ' CE1' HG21 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' GLU . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG21 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -100.25 145.07 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.05 174.42 12.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.8 137.47 4.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.5 t -119.34 89.35 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -75.62 -23.64 56.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.58 -161.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.47 156.5 73.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.98 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.75 -39.1 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' THR . 3.3 m -88.43 -45.71 9.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.943 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -47.09 -49.35 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 ' N ' HG21 ' A' ' 62' ' ' ILE . 83.2 mt -41.48 -28.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' SER . 29.2 m -58.49 -47.25 84.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.3 mp -90.37 -58.24 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' LEU . 6.0 ttpp -39.77 -58.41 1.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -76.19 -35.01 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.28 -26.48 13.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 72' ' ' MET . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 ' CG2' HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 84' ' ' GLU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 14.6 m -66.13 159.86 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -176.06 129.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.89 97.4 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.92 3.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -117.51 166.66 12.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -124.66 -61.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 115.52 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -146.1 146.07 30.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.11 118.17 5.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.79 166.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -88.1 134.59 33.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.61 154.17 29.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -94.08 -58.49 2.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 0.74 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.99 125.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.8 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 76' ' ' TYR . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD12 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' CD ' HG21 ' A' ' 38' ' ' ILE . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.437 ' CE1' ' HA2' ' A' ' 45' ' ' GLY . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 36' ' ' ASP . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -97.26 150.04 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.96 120.99 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.45 93.71 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -47.79 -44.43 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 97.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 -23.08 54.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.21 47.26 5.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 m 68.8 153.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 108.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -28.9 8.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -60.33 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -34.03 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.055 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.4 mt -67.62 -64.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 ' N ' HG22 ' A' ' 62' ' ' ILE . 84.3 mt -57.87 -16.71 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.2 m -85.94 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.4 mp -86.1 -61.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.21 -55.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -37.6 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -36.92 46.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.467 ' CE ' HD12 ' A' ' 26' ' ' ILE . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 72' ' ' MET . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CB ' HD13 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG11 ' CG ' ' A' ' 70' ' ' GLN . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 5.4 m -61.73 128.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -57.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.18 131.69 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.6 t -87.18 154.5 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.17 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -171.39 105.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -116.63 148.86 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.28 128.19 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 169.19 44.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 102.67 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.786 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.61 74.92 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -82.52 112.36 19.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.22 75.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.96 79.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 0.0 110.364 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.85 150.82 37.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.454 ' HE2' ' CD1' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LYS . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 38' ' ' ILE . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.549 ' CD1' HG12 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 18' ' ' ILE . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.466 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 82' ' ' GLY . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.549 HG12 ' CD1' ' A' ' 39' ' ' TYR . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' ARG . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.419 ' CE ' HD11 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 0.8 OUTLIER -78.58 127.48 32.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.54 119.01 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.35 -50.52 0.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -52.0 -35.82 47.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.7 m 68.51 142.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.1 t -91.64 7.15 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -69.23 62.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' SER . 1.8 p 163.13 108.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.1 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.16 -71.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -30.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -72.62 -51.51 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' HA ' ' CB ' ' A' ' 67' ' ' SER . 90.0 mt -65.83 -11.08 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -92.39 -52.57 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -94.83 -67.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.19 -68.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 46.3 t -58.07 -46.43 85.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.8 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.454 ' CD1' ' HE2' ' A' ' 17' ' ' MET . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' CA ' ' A' ' 45' ' ' GLY . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.42 ' N ' HD11 ' A' ' 46' ' ' ILE . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 84' ' ' GLU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' LEU . 33.2 m -59.11 135.49 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -169.2 174.95 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.931 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.63 -145.39 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.416 1.073 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.62 6.01 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.4 m -154.78 106.98 2.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -174.3 135.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.69 154.51 47.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 134.69 6.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.133 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.48 -162.48 10.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.22 165.88 11.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -123.6 160.32 27.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.55 94.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -95.56 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.9 111.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 59.93 149.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 155.31 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 HD12 ' CE2' ' A' ' 42' ' ' PHE . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' CD2' HD11 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD13 ' CE ' ' A' ' 72' ' ' MET . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.49 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 51' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 36' ' ' ASP . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.417 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.477 ' CE2' HD12 ' A' ' 18' ' ' ILE . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' CA ' HG22 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.29 149.18 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' N ' HD13 ' A' ' 51' ' ' LEU . 2.7 mt-30 -157.45 119.07 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.46 -48.8 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -41.77 -45.64 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.41 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 t -85.41 7.7 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.413 1.071 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -39.29 -56.27 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -128.83 130.07 23.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.4 16.83 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.525 1.802 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 m -55.58 -73.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -37.31 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -63.93 -53.07 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.421 ' N ' HG22 ' A' ' 62' ' ' ILE . 67.7 mt -64.3 -12.45 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -90.68 -52.77 4.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.98 -62.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ILE . 2.3 ttpp -40.45 -62.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -66.3 -57.69 6.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.53 -47.72 2.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 81' ' ' GLU . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 4.7 m -68.24 159.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.03 -123.86 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.34 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -109.07 138.32 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p 177.18 107.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -120.3 87.24 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.95 106.79 3.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -150.59 5.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.13 120.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 111.43 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 76.85 0.34 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.097 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -73.74 115.04 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.41 158.38 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.86 143.53 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' ASP . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' CA ' ' HG2' ' A' ' 52' ' ' GLN . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 44' ' ' ASP . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.42 ' CG2' ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.459 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' CA ' HG21 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -87.26 161.71 17.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.487 ' HG2' ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -156.25 170.95 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.95 -49.96 1.96 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -48.4 -43.85 34.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.58 147.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -96.59 -2.48 44.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -75.46 66.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p 168.07 109.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -46.34 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -58.23 -67.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -43.22 -30.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.1 mt -70.3 -61.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 ' N ' HG23 ' A' ' 62' ' ' ILE . 38.6 mt -56.93 -18.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -88.9 -58.93 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.53 -64.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.34 -55.44 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -58.51 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.94 -58.68 4.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.439 ' OE1' ' NE2' ' A' ' 74' ' ' GLN . 3.6 tt0 -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.9 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.448 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' HG3' ' CG2' ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.445 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 15.8 m -65.49 149.01 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 t -173.99 140.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.86 97.95 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -102.11 113.22 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.3 97.45 7.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.598 1.186 . . . . 0.0 110.065 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -166.43 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -130.86 95.93 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -104.18 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 58.9 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -127.46 155.66 43.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.14 -177.3 6.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -79.36 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 112.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.92 149.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -72.05 160.07 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.533 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 ' C ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' HG11 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.464 HD12 ' CE ' ' A' ' 72' ' ' MET . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' CA ' ' A' ' 35' ' ' GLY . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' CA ' HG11 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.448 HG11 ' CD1' ' A' ' 22' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CD2' HG21 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.455 ' CD1' ' HA3' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' C ' ' CG2' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CA ' HG21 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -95.16 148.42 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.7 167.98 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.223 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 -58.39 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.83 -49.81 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.18 155.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 6.5 t -87.19 13.39 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.3 OUTLIER -38.19 -71.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.97 141.12 25.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' SER . 18.2 Cg_endo -75.01 -45.3 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.803 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -38.75 -72.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -44.39 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -63.71 -55.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' N ' HG22 ' A' ' 62' ' ' ILE . 72.0 mt -60.96 -14.84 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' SER . 33.7 m -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.4 mp -90.49 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -40.52 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -60.72 3.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.82 -53.75 3.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG2' ' NE2' ' A' ' 74' ' ' GLN . 6.6 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.525 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 12.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.525 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.42 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.515 ' CG ' HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 11.2 m -65.0 159.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.16 149.08 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.99 89.44 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.17 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -49.44 107.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.28 113.59 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.84 81.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -98.44 133.07 43.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.17 141.28 16.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.89 87.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -64.61 -56.77 11.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.86 -168.35 2.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -95.96 -59.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.96 74.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.02 89.18 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.14 149.02 26.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 17' ' ' MET . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.404 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ASP . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 38' ' ' ILE . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.584 ' CE1' HG21 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.584 HG21 ' CE1' ' A' ' 42' ' ' PHE . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.46 ' CD ' HG13 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 tp -85.63 143.15 28.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.38 127.04 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.46 54.29 2.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 28.5 t -93.74 -43.43 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' SER . 3.6 t 87.34 142.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 t -124.37 10.36 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -47.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.8 m -134.96 134.14 21.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 108.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -39.88 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -39.31 -69.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -41.07 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.3 mt -66.46 -56.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.425 ' N ' HG23 ' A' ' 62' ' ' ILE . 24.3 mt -61.84 -13.81 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' SER . 21.4 m -92.9 -46.1 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 69' ' ' ILE . 3.9 mm? -94.09 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -40.15 -64.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -48.88 78.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.964 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.71 -59.88 5.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' CD1' HD13 ' A' ' 65' ' ' LEU . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 3.8 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG13 ' CD ' ' A' ' 48' ' ' ARG . 3.3 m -54.49 102.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -92.57 161.24 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.82 -156.74 10.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.64 127.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.77 108.26 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -177.77 111.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -107.45 92.31 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.96 72.82 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -58.32 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.054 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -172.55 100.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -87.8 -59.47 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 0.725 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.89 103.82 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.48 145.51 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.26 150.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD13 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' ASP . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.564 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' ASP . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 16.8 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.47 ' N ' HD13 ' A' ' 38' ' ' ILE . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CD2' HG23 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.48 155.62 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.77 160.16 44.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.95 -177.27 17.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -44.0 97.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.72 111.44 3.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 108.237 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 62' ' ' ILE . 93.9 m -106.36 35.24 3.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.84 -39.95 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -55.83 119.65 27.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -47.22 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 m -52.61 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.58 -39.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -68.29 -53.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.2 mt -58.79 -15.96 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 m -89.5 -48.51 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.465 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 9.9 mt -91.83 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.2 ttpp -39.28 -62.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.56 68.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.4 -61.15 4.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.458 ' CB ' HD13 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 47' ' ' VAL . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.518 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 9.7 m -61.33 160.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -178.14 161.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.75 -146.57 4.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 125.14 9.13 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -76.96 143.75 39.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -134.64 96.56 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.78 -58.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -68.1 -59.62 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.061 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.57 -131.37 10.43 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -61.06 -58.8 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -172.46 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.389 1.056 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.0 120.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p -107.35 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.39 0.7 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 79.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.47 84.33 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.2 161.08 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' ASP . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' ASP . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.537 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CD1' ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD2' ' HB2' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' CA ' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD11 ' CG ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -90.12 133.45 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -139.68 155.17 47.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.75 38.44 5.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -82.98 -43.04 16.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.958 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.0 t 72.05 127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 58' ' ' CYS . 4.2 t -102.44 1.58 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' THR . 61.0 p -39.46 -31.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 56' ' ' THR . 25.6 p -150.25 124.25 4.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 108.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.0 m -42.45 -35.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.41 1.069 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.472 HG21 ' CD ' ' A' ' 66' ' ' LYS . 2.1 mt -68.74 -59.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 ' N ' HG23 ' A' ' 62' ' ' ILE . 87.4 mt -60.22 -12.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -94.28 -48.16 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.8 mm? -94.47 -67.59 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' CD ' HG21 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -39.53 -60.19 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -52.26 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.62 -33.94 3.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 48' ' ' ARG . 14.8 m -64.21 159.06 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -174.46 146.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.16 -80.47 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.18 42.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 151.72 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 t -162.95 170.59 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 63.64 79.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.13 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 -179.76 18.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.63 102.13 6.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -51.87 127.09 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.85 73.65 0.44 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.5 p -86.87 118.53 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.65 96.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.73 105.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.43 170.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' C ' ' N ' ' A' ' 22' ' ' LEU . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASP . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.54 ' CD1' ' CE ' ' A' ' 72' ' ' MET . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 38' ' ' ILE . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.445 ' HG2' ' CG1' ' A' ' 86' ' ' VAL . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 85' ' ' GLN . 12.0 tp -91.72 154.28 19.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.13 123.64 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.19 82.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -50.57 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.78 . . . . 0.0 110.038 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.8 t -178.3 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 56' ' ' THR . 92.1 m -93.43 36.21 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.392 1.057 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.83 -14.37 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m -149.76 140.81 14.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.81 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.078 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -38.43 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.449 HG22 ' CG ' ' A' ' 66' ' ' LYS . 1.8 mt -69.9 -58.49 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 ' N ' HG21 ' A' ' 62' ' ' ILE . 48.5 mt -61.84 -12.65 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 60' ' ' SER . 7.7 m -94.9 -49.64 5.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.92 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' CG ' HG22 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -42.2 -67.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -58.56 -44.48 89.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.057 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.47 19.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' CG ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.54 ' CE ' ' CD1' ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASN . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 77' ' ' ILE . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' CG ' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 48' ' ' ARG . 19.7 m -50.58 146.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 t -135.22 -62.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.15 116.06 4.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 177.09 9.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.7 m -100.47 145.11 28.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.1 t -167.9 102.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.944 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -141.72 132.99 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.57 -160.19 23.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t 61.87 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -127.99 98.86 5.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.34 -173.98 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -111.36 175.3 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.31 78.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.03 83.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.87 137.11 36.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 42' ' ' PHE . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' ASP . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' O ' ' OG1' ' A' ' 29' ' ' THR . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 25' ' ' ARG . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 32.7 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 50' ' ' LYS . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 27' ' ' ARG . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 18' ' ' ILE . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.439 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.552 ' CG1' ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' CD1' ' CG1' ' A' ' 47' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' ASP . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 52' ' ' GLN . 4.2 tp -83.97 143.84 29.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.425 ' N ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -160.44 161.42 32.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.94 -66.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -73.46 -18.02 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 m 48.43 -97.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.234 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' CYS . 12.8 t -112.39 -25.55 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.41 ' N ' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER 60.26 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.6 p -157.84 151.0 18.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.88 21.47 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -82.08 -33.68 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 t -88.56 -26.12 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 63' ' ' ILE . 1.8 mt -69.99 -57.75 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 62' ' ' ILE . 54.3 mt -63.92 -12.1 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 m -94.2 -51.11 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -94.9 -66.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -40.91 -67.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -57.62 -48.36 79.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.87 -38.88 10.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' HG2' ' CG2' ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 9.9 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 75' ' ' PHE . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 2.9 m -51.33 141.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.99 63.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.27 121.61 0.64 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.09 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.76 21.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.4 t -162.66 -57.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -131.18 -59.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -144.02 126.55 15.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -96.53 134.0 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.11 -132.59 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -173.2 99.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.94 161.41 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.072 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.9 -117.66 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.634 1.209 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -76.28 -53.27 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.08 -147.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 44.64 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -82.55 163.84 21.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.567 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.567 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' CD2' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.09 160.22 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' HD23 ' A' ' 51' ' ' LEU . 5.9 pt20 -141.2 139.07 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.86 55.95 1.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -80.36 -44.23 19.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.38 127.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.8 t -105.37 5.19 31.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.59 95.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' THR . 21.5 m 65.17 149.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -59.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -55.83 -31.27 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.08 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.1 mt -69.83 -62.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' N ' HG21 ' A' ' 62' ' ' ILE . 33.8 mt -61.29 -13.87 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -89.86 -51.55 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 3.6 mt -94.73 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -39.95 -65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -66.2 -43.88 85.48 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.71 -51.47 10.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.466 ' CG ' ' HA2' ' A' ' 82' ' ' GLY . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.466 ' CE ' ' CD1' ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 72' ' ' MET . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA2' ' CG ' ' A' ' 70' ' ' GLN . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.499 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 32.3 m -63.12 145.16 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.06 -65.93 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.54 168.87 26.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 132.53 15.44 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 46.18 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -67.23 148.41 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -133.28 122.72 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 42.62 87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 95.02 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -79.0 124.65 28.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -54.92 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 118.43 0.37 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -91.12 -59.48 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.411 0.712 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -176.12 105.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' GLU . 35.4 tt0 59.75 149.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -71.45 162.86 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG21 ' CG ' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD1' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.543 ' C ' ' O ' ' A' ' 23' ' ' ASP . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' ASP . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.6 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 27' ' ' ARG . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.608 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.459 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' ARG . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ASP . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.32 149.93 23.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.03 123.4 7.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.93 146.78 18.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.3 m -96.56 -37.86 10.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 0.721 . . . . 0.0 110.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.34 70.87 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.309 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.553 ' CG2' ' CD1' ' A' ' 62' ' ' ILE . 65.1 m -130.42 13.06 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 m -75.1 66.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.6 p -170.23 117.19 0.5 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.0 Cg_endo -75.07 -66.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.2 m -39.46 -61.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.42 -41.02 38.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.553 ' CD1' ' CG2' ' A' ' 56' ' ' THR . 1.1 mt -67.58 -53.76 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 62' ' ' ILE . 45.6 mt -62.65 -12.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -96.16 -49.23 5.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mp -94.7 -66.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' CG ' HG21 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -43.48 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -57.58 -43.62 84.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -46.63 56.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.441 ' CB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.475 ' HG3' ' CD1' ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -58.96 146.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 169.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.64 -152.6 9.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.1 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -168.62 146.03 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.974 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG22 ' CB ' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.802 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.884 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.697 HG22 ' OE2' ' A' ' 84' ' ' GLU . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 42' ' ' PHE . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.859 ' HB3' HG11 ' A' ' 86' ' ' VAL . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.747 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HB2' HG23 ' A' ' 86' ' ' VAL . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 ' CB ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 22' ' ' LEU . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.748 ' CG ' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.578 ' HG3' HG23 ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.697 ' OE2' HG22 ' A' ' 46' ' ' ILE . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 48' ' ' ARG . 28.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.557 HG21 ' CD ' ' A' ' 79' ' ' GLU . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG22 ' OH ' ' A' ' 39' ' ' TYR . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 73' ' ' LEU . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 HG23 ' A' ' 37' ' ' VAL . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 51' ' ' LEU . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.703 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CD2' HG22 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.94 HG22 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HB3' HG13 ' A' ' 37' ' ' VAL . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.89 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD13 ' A' ' 21' ' ' LEU . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CB ' HD11 ' A' ' 21' ' ' LEU . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 17' ' ' MET . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.557 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.573 HG13 HD23 ' A' ' 49' ' ' LEU . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 49' ' ' LEU . 9.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.824 HG22 ' OH ' ' A' ' 39' ' ' TYR . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 26' ' ' ILE . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.784 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.824 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.784 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.994 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.994 HG22 ' CD2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.553 ' CD ' HG11 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.777 ' HB2' HG23 ' A' ' 86' ' ' VAL . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 21' ' ' LEU . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 HG23 ' HG3' ' A' ' 79' ' ' GLU . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 77' ' ' ILE . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 80' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.777 HG23 ' HB2' ' A' ' 50' ' ' LYS . 17.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' A' ' 17' ' ' MET . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG13 ' HE2' ' A' ' 39' ' ' TYR . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 14' ' ' VAL . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD22 HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' GLU . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 26' ' ' ILE . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' HD11 ' A' ' 38' ' ' ILE . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.848 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.745 ' HE2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' NE ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CD2' HG22 ' A' ' 47' ' ' VAL . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.665 ' O ' HD22 ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.816 ' HB3' HG11 ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.71 ' C ' HG22 ' A' ' 86' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 51' ' ' LEU . 1.2 tp . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 21' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' CB ' HD11 ' A' ' 21' ' ' LEU . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 14' ' ' VAL . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG22 ' NE2' ' A' ' 74' ' ' GLN . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.654 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 49' ' ' LEU . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.816 HG11 ' HB3' ' A' ' 48' ' ' ARG . 26.5 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.707 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 42' ' ' PHE . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG22 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.897 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 18' ' ' ILE . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CA ' ' A' ' 82' ' ' GLY . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.685 ' C ' HD22 ' A' ' 49' ' ' LEU . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HE3' HD13 ' A' ' 38' ' ' ILE . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 69' ' ' ILE . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.483 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 22' ' ' LEU . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 17' ' ' MET . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 77' ' ' ILE . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CG ' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' CD ' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 39' ' ' TYR . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.556 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 26' ' ' ILE . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 27' ' ' ARG . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' NE ' HG22 ' A' ' 38' ' ' ILE . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.722 ' CD1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.562 HD13 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.931 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB2' HG23 ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.965 HD13 HG11 ' A' ' 80' ' ' VAL . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 17' ' ' MET . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.748 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.965 HG11 HD13 ' A' ' 73' ' ' LEU . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.562 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 49' ' ' LEU . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.931 HG11 ' HB3' ' A' ' 48' ' ' ARG . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.428 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.847 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 21' ' ' LEU . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG21 ' HB ' ' A' ' 37' ' ' VAL . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 51' ' ' LEU . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.795 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CA ' ' A' ' 82' ' ' GLY . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.847 HD22 HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.0 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 80' ' ' VAL . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.781 ' HB2' HD11 ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 17' ' ' MET . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD22 ' A' ' 73' ' ' LEU . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.437 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 70' ' ' GLN . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 48' ' ' ARG . 34.2 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG22 ' OH ' ' A' ' 39' ' ' TYR . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 20' ' ' GLU . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.783 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 26' ' ' ILE . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 27' ' ' ARG . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.677 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 46' ' ' ILE . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.871 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.779 HD12 HG13 ' A' ' 83' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.709 ' HB2' HG23 ' A' ' 86' ' ' VAL . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.48 ' SD ' HD11 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CB ' HD11 ' A' ' 21' ' ' LEU . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 77' ' ' ILE . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 49' ' ' LEU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' N ' HG12 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.621 ' HG3' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' OH ' ' A' ' 39' ' ' TYR . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.578 ' O ' HD12 ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.716 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.614 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.806 ' HB3' HG11 ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.688 ' HB2' HG23 ' A' ' 86' ' ' VAL . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.55 ' SD ' HD22 ' A' ' 21' ' ' LEU . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD22 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG21 HD22 ' A' ' 73' ' ' LEU . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' A' ' 48' ' ' ARG . 5.4 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.574 ' HB3' HG12 ' A' ' 14' ' ' VAL . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 12' ' ' ASP . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' OH ' ' A' ' 39' ' ' TYR . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.859 HG13 ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.859 ' OE1' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.885 HG22 ' HD3' ' A' ' 40' ' ' ARG . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.503 HG23 ' OE1' ' A' ' 84' ' ' GLU . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 80' ' ' VAL . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HB3' HG11 ' A' ' 86' ' ' VAL . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' CE ' HD13 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 21' ' ' LEU . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.669 ' CB ' HD11 ' A' ' 21' ' ' LEU . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 79' ' ' GLU . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' CD ' HG21 ' A' ' 14' ' ' VAL . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 47' ' ' VAL . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 HD12 ' A' ' 49' ' ' LEU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 48' ' ' ARG . 33.2 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' O ' HD12 ' A' ' 18' ' ' ILE . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' OH ' ' A' ' 39' ' ' TYR . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 14' ' ' VAL . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 21' ' ' LEU . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 ' CG2' ' A' ' 37' ' ' VAL . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.682 ' O ' HD12 ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 49' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.716 HG22 ' NE ' ' A' ' 40' ' ' ARG . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.894 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.716 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.691 ' CD2' HG22 ' A' ' 47' ' ' VAL . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 42' ' ' PHE . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.798 ' HB3' HG11 ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CB ' HD11 ' A' ' 21' ' ' LEU . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 47' ' ' VAL . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.538 ' N ' HG12 ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.798 HG11 ' HB3' ' A' ' 48' ' ' ARG . 4.7 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 14' ' ' VAL . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG21 ' CD ' ' A' ' 79' ' ' GLU . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.66 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.737 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 47' ' ' VAL . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.997 HD11 HD22 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 22' ' ' LEU . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.692 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.829 ' CE1' HG22 ' A' ' 47' ' ' VAL . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.829 HG22 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.894 ' HB3' HG11 ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.799 ' HB2' HG23 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HG3' HG13 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.933 HD22 HG11 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 5.5 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.846 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.737 HD11 ' HG2' ' A' ' 17' ' ' MET . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.933 HG11 HD22 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 70' ' ' GLN . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.894 HG11 ' HB3' ' A' ' 48' ' ' ARG . 15.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 39' ' ' TYR . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.594 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.883 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.949 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.611 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 26' ' ' ILE . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.916 ' CD2' HG22 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.67 HD13 ' CA ' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.916 HG22 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.87 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB2' HG23 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB3' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 83' ' ' VAL . 2.5 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 21' ' ' LEU . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 79' ' ' GLU . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.67 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.87 HG11 ' HB3' ' A' ' 48' ' ' ARG . 11.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.793 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.729 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 30' ' ' VAL . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.597 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.736 HG21 ' HB ' ' A' ' 37' ' ' VAL . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.736 ' HB ' HG21 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.838 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' CD1' HG22 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.807 HG12 HD21 ' A' ' 49' ' ' LEU . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 21' ' ' LEU . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.807 ' HB2' HD11 ' A' ' 21' ' ' LEU . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.793 ' OE1' HG21 ' A' ' 14' ' ' VAL . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.68 HG11 HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 HD23 ' A' ' 49' ' ' LEU . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.848 HG21 ' OE1' ' A' ' 79' ' ' GLU . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.712 HG22 ' OH ' ' A' ' 39' ' ' TYR . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 20' ' ' GLU . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.681 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ILE . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.617 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.946 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.617 ' HD3' HG22 ' A' ' 38' ' ' ILE . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.746 ' C ' HD22 ' A' ' 49' ' ' LEU . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB2' HG23 ' A' ' 86' ' ' VAL . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.525 ' HG3' HG13 ' A' ' 83' ' ' VAL . 5.1 tt0 -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 21' ' ' LEU . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 17' ' ' MET . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.848 ' OE1' HG21 ' A' ' 14' ' ' VAL . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.539 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 70' ' ' GLN . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.678 HG22 ' C ' ' A' ' 49' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD ' ' A' ' 79' ' ' GLU . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' OH ' ' A' ' 39' ' ' TYR . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 HG22 ' HG ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 24' ' ' THR . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 30' ' ' VAL . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.816 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' ILE . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.867 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.867 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.74 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 80' ' ' VAL . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.887 ' HB3' HG11 ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.793 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HG3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HG21 ' A' ' 80' ' ' VAL . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.743 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 79' ' ' GLU . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 73' ' ' LEU . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.777 HG11 ' HG3' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.8 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.669 HG22 ' OH ' ' A' ' 39' ' ' TYR . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' THR . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD11 ' HD2' ' A' ' 76' ' ' TYR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' GLU . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.934 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.529 ' NH2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' GLN . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 51' ' ' LEU . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.529 HG23 ' NH2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.938 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.57 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.647 ' C ' HD22 ' A' ' 49' ' ' LEU . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.938 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.781 ' HB2' HG22 ' A' ' 37' ' ' VAL . 12.0 tp . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.784 ' CE ' HD11 ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.603 ' HB2' HG13 ' A' ' 80' ' ' VAL . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HD2' HD11 ' A' ' 21' ' ' LEU . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.57 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 49' ' ' LEU . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.559 HG23 ' OE2' ' A' ' 79' ' ' GLU . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' OH ' ' A' ' 39' ' ' TYR . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' THR . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 26' ' ' ILE . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' OD2' HD11 ' A' ' 38' ' ' ILE . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.663 HG22 ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.636 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.663 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.953 HG12 ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.958 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' HD13 ' A' ' 38' ' ' ILE . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.681 ' HB2' HG12 ' A' ' 37' ' ' VAL . 4.2 tp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 26' ' ' ILE . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' HG21 ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 21' ' ' LEU . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 81' ' ' GLU . 6.7 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.593 ' CB ' HD11 ' A' ' 21' ' ' LEU . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE2' HG23 ' A' ' 14' ' ' VAL . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.544 HG23 HG23 ' A' ' 47' ' ' VAL . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 49' ' ' LEU . 2.9 m . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.752 HG22 ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.69 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.716 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' ILE . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 30' ' ' VAL . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.927 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.039 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.499 HD13 ' CA ' ' A' ' 82' ' ' GLY . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.039 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.893 ' HB3' HG11 ' A' ' 86' ' ' VAL . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 86' ' ' VAL . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 83' ' ' VAL . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.69 ' CE ' HD11 ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 21' ' ' LEU . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.704 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' HG3' ' A' ' 70' ' ' GLN . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.893 HG11 ' HB3' ' A' ' 48' ' ' ARG . 32.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.716 ' OD1' HG11 ' A' ' 15' ' ' VAL . 43.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.837 HG22 ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 20' ' ' GLU . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' ILE . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.837 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.714 ' HB3' HG11 ' A' ' 86' ' ' VAL . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 86' ' ' VAL . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.025 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.147 HD12 HG11 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.147 HG11 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.723 HG22 ' C ' ' A' ' 49' ' ' LEU . 15.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -141.77 -55.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.55 113.5 2.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -172.05 93.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.33 117.82 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 148.86 11.65 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -99.99 174.12 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.0 78.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.85 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -74.89 144.49 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.974 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG22 ' CB ' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.802 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.884 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.697 HG22 ' OE2' ' A' ' 84' ' ' GLU . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 42' ' ' PHE . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.859 ' HB3' HG11 ' A' ' 86' ' ' VAL . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.747 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HB2' HG23 ' A' ' 86' ' ' VAL . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 ' CB ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -99.55 159.06 15.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.48 121.67 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 132.87 5.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -96.99 -46.06 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 0.799 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.27 99.86 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -73.88 -23.83 59.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.35 57.23 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m 66.66 147.77 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.04 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 m -39.84 -53.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.2 t -56.71 -44.03 81.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -62.81 -56.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.3 mt -63.67 -12.24 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -92.0 -50.99 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.6 mt -94.55 -62.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.1 -64.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -62.82 -44.44 96.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.78 -39.92 17.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 22' ' ' LEU . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.748 ' CG ' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.578 ' HG3' HG23 ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.697 ' OE2' HG22 ' A' ' 46' ' ' ILE . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 48' ' ' ARG . 28.5 m -68.49 137.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.53 96.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.53 173.13 33.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 121.49 6.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.6 115.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -114.81 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -156.89 163.09 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.061 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.03 141.63 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.93 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 73.04 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.01 167.74 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.17 161.17 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 99.73 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -84.3 -59.23 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.59 -147.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -104.09 168.02 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.557 HG21 ' CD ' ' A' ' 79' ' ' GLU . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG22 ' OH ' ' A' ' 39' ' ' TYR . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 73' ' ' LEU . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 HG23 ' A' ' 37' ' ' VAL . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 51' ' ' LEU . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.703 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CD2' HG22 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.94 HG22 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HB3' HG13 ' A' ' 37' ' ' VAL . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.97 HD12 ' N ' ' A' ' 52' ' ' GLN . 1.4 tp -88.41 137.81 31.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.97 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.48 173.52 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.59 149.52 6.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.3 m -90.15 -46.88 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -101.84 -25.6 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t 68.85 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -161.34 159.5 23.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.22 18.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.565 1.824 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -58.04 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -50.5 -36.62 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -67.1 -55.97 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.93 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -94.34 -45.43 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.38 -64.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.13 -59.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -64.54 -47.78 77.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.91 -49.76 22.4 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD13 ' A' ' 21' ' ' LEU . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CB ' HD11 ' A' ' 21' ' ' LEU . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 17' ' ' MET . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.557 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.573 HG13 HD23 ' A' ' 49' ' ' LEU . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 49' ' ' LEU . 9.3 m -49.97 132.85 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 76.9 p -141.01 158.23 44.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.967 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.87 -152.78 5.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -63.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 t -153.85 153.32 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.6 t -83.02 75.13 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.944 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.02 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -110.54 132.48 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.9 160.68 24.53 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.4 142.36 43.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -168.38 105.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -157.77 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 m -68.32 -59.55 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.97 76.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.86 83.05 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.81 151.97 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.824 HG22 ' OH ' ' A' ' 39' ' ' TYR . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 26' ' ' ILE . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.784 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.824 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.784 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.994 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.994 HG22 ' CD2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.553 ' CD ' HG11 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.777 ' HB2' HG23 ' A' ' 86' ' ' VAL . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.89 150.85 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.8 125.84 11.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.6 -138.95 8.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.5 t -97.13 -38.33 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.8 p 178.71 166.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.341 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -106.25 11.71 30.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.336 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -46.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.14 112.04 38.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -23.64 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -71.33 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -43.66 -38.13 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.943 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.1 mt -66.17 -57.56 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' ILE . 89.8 mt -62.41 -13.33 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -92.22 -48.61 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LYS . 1.6 mt -93.63 -64.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.11 -63.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -47.37 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.69 -38.3 3.06 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 21' ' ' LEU . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 HG23 ' HG3' ' A' ' 79' ' ' GLU . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 77' ' ' ILE . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 80' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.777 HG23 ' HB2' ' A' ' 50' ' ' LYS . 17.3 m -65.03 145.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m 53.89 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.5 75.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.25 91.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 60.57 84.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -150.34 166.53 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 102.34 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 168.68 23.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -112.47 97.97 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -162.63 149.89 13.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.382 1.051 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.03 162.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 m -86.38 -59.86 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.32 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.98 72.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 159.11 12.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' A' ' 17' ' ' MET . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG13 ' HE2' ' A' ' 39' ' ' TYR . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 14' ' ' VAL . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD22 HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' GLU . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 26' ' ' ILE . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.667 ' CG ' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' HD11 ' A' ' 38' ' ' ILE . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.848 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.745 ' HE2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' NE ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CD2' HG22 ' A' ' 47' ' ' VAL . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.665 ' O ' HD22 ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.816 ' HB3' HG11 ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.71 ' C ' HG22 ' A' ' 86' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' GLN . 1.2 tp -76.88 124.89 28.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -156.92 119.11 3.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.09 -148.63 5.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.08 -16.45 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.978 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.02 40.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -123.65 -1.46 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.162 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.75 13.14 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.29 137.45 30.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -35.41 3.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' THR . 54.0 m -62.22 -70.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' SER . 60.6 m -38.72 -38.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -75.57 -52.29 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' N ' HG22 ' A' ' 62' ' ' ILE . 66.5 mt -59.92 -15.49 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.2 m -89.46 -51.97 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 33' ' ' ASP . 3.6 mp -91.02 -64.62 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.53 -63.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -60.26 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.51 -53.63 2.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' LEU . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 21' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' CB ' HD11 ' A' ' 21' ' ' LEU . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 14' ' ' VAL . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG22 ' NE2' ' A' ' 74' ' ' GLN . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.654 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 49' ' ' LEU . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.816 HG11 ' HB3' ' A' ' 48' ' ' ARG . 26.5 m -62.85 101.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 146.36 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.66 -171.62 13.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.65 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 155.06 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.8 p -141.45 153.32 44.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -144.78 148.53 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -122.29 149.42 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -116.05 91.69 0.55 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.6 -82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.5 t -116.04 92.58 3.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.33 -124.48 27.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 m -92.33 175.45 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.953 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 77.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 87.9 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.23 137.84 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.707 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 42' ' ' PHE . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 52' ' ' GLN . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG22 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.897 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 18' ' ' ILE . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CA ' ' A' ' 82' ' ' GLY . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.685 ' C ' HD22 ' A' ' 49' ' ' LEU . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HE3' HD13 ' A' ' 38' ' ' ILE . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -75.96 129.37 36.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' O ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -159.46 118.7 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.89 -154.45 8.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 m -92.65 -37.66 12.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 p -168.94 156.45 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.45 ' OG1' HD12 ' A' ' 62' ' ' ILE . 13.2 t -80.32 -25.15 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 70.62 -61.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.2 m -164.89 152.92 10.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.56 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -56.53 -60.66 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -42.21 64.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.981 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -63.34 -53.74 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.24 -12.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -95.43 -43.53 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.2 mm? -93.48 -64.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -45.1 -65.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -53.28 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 -37.02 5.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 69' ' ' ILE . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.483 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 22' ' ' LEU . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 17' ' ' MET . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 77' ' ' ILE . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CG ' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m -50.45 110.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -73.66 148.86 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.31 83.0 0.16 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 98.96 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.389 1.731 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.93 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.3 t 63.85 136.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -118.12 105.76 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.082 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -138.44 111.46 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.65 111.33 1.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.66 163.27 37.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 56.38 169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 -105.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -88.51 -52.61 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -154.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.32 97.45 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.0 161.46 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' CD ' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 39' ' ' TYR . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.556 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 26' ' ' ILE . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 27' ' ' ARG . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' NE ' HG22 ' A' ' 38' ' ' ILE . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.722 ' CD1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.562 HD13 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.931 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB2' HG23 ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 150.86 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.81 123.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 -179.66 16.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.098 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -89.19 -23.18 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 44.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -106.6 -4.74 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -71.7 -18.0 62.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.21 126.7 24.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 108.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -74.96 -16.45 20.3 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.384 1.053 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -37.76 87.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 mt -63.5 -61.88 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 67' ' ' SER . 80.9 mt -56.81 -16.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -90.0 -42.57 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.46 -67.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -42.92 -63.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -51.46 -52.05 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.86 -41.93 21.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.965 HD13 HG11 ' A' ' 80' ' ' VAL . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 17' ' ' MET . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.748 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.965 HG11 HD13 ' A' ' 73' ' ' LEU . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.562 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 49' ' ' LEU . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.931 HG11 ' HB3' ' A' ' 48' ' ' ARG . 27.0 m -70.57 101.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -62.5 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.71 170.76 47.43 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.43 129.5 15.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.97 106.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.983 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 129.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 133.86 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.48 129.15 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -58.55 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m 58.96 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.09 118.35 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.17 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -101.43 112.93 25.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 0.703 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.13 79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.8 79.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.208 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.01 142.53 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.428 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.847 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 21' ' ' LEU . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG21 ' HB ' ' A' ' 37' ' ' VAL . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 51' ' ' LEU . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.795 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CA ' ' A' ' 82' ' ' GLY . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.847 HD22 HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.36 149.77 22.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.85 142.52 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.29 47.88 1.03 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -94.45 -38.26 11.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 69.8 144.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -115.6 7.42 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.98 -50.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.69 139.06 28.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -34.56 3.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.6 OUTLIER -46.73 -61.04 2.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -48.99 -40.25 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.8 mt -65.13 -59.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.86 -13.59 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -87.5 -55.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -93.33 -60.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.97 -62.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -65.33 -47.81 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.42 -57.01 6.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.0 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 80' ' ' VAL . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.781 ' HB2' HD11 ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 17' ' ' MET . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD22 ' A' ' 73' ' ' LEU . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.437 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 70' ' ' GLN . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 48' ' ' ARG . 34.2 m -63.88 139.49 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t 71.71 78.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.52 -160.69 9.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.15 13.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -145.61 159.02 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.6 m 61.85 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -65.88 171.66 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -167.41 107.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.2 69.52 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -144.79 114.77 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -171.21 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.88 -155.25 23.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -93.63 -59.18 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -178.15 103.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 75.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.18 157.93 16.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG22 ' OH ' ' A' ' 39' ' ' TYR . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 20' ' ' GLU . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.783 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 26' ' ' ILE . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 27' ' ' ARG . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.677 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 46' ' ' ILE . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.871 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD12 HG13 ' A' ' 83' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.709 ' HB2' HG23 ' A' ' 86' ' ' VAL . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -100.25 145.07 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.758 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -149.05 174.42 12.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.8 137.47 4.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.5 t -119.34 89.35 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -75.62 -23.64 56.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.58 -161.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.47 156.5 73.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.98 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.75 -39.1 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' THR . 3.3 m -88.43 -45.71 9.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.943 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -47.09 -49.35 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 62' ' ' ILE . 83.2 mt -41.48 -28.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' SER . 29.2 m -58.49 -47.25 84.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.3 mp -90.37 -58.24 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' LEU . 6.0 ttpp -39.77 -58.41 1.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -76.19 -35.01 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.28 -26.48 13.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.48 ' SD ' HD11 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CB ' HD11 ' A' ' 21' ' ' LEU . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 77' ' ' ILE . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 49' ' ' LEU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' N ' HG12 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.621 ' HG3' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.6 m -66.13 159.86 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -176.06 129.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.89 97.4 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.92 3.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -117.51 166.66 12.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -124.66 -61.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 115.52 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -146.1 146.07 30.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.11 118.17 5.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.79 166.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -88.1 134.59 33.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.61 154.17 29.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -94.08 -58.49 2.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 0.74 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.99 125.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.8 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' OH ' ' A' ' 39' ' ' TYR . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.578 ' O ' HD12 ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.716 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.614 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.806 ' HB3' HG11 ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.688 ' HB2' HG23 ' A' ' 86' ' ' VAL . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -97.26 150.04 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -154.96 120.99 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.45 93.71 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -47.79 -44.43 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 97.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 -23.08 54.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.21 47.26 5.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 m 68.8 153.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 108.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -28.9 8.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -60.33 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -34.03 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.055 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.4 mt -67.62 -64.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.87 -16.71 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.2 m -85.94 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.4 mp -86.1 -61.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.21 -55.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -37.6 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -36.92 46.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.55 ' SD ' HD22 ' A' ' 21' ' ' LEU . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD22 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG21 HD22 ' A' ' 73' ' ' LEU . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' A' ' 48' ' ' ARG . 5.4 m -61.73 128.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -57.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.18 131.69 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.6 t -87.18 154.5 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.17 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -171.39 105.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -116.63 148.86 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.28 128.19 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 169.19 44.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 102.67 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.786 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.61 74.92 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -82.52 112.36 19.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.22 75.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.96 79.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 0.0 110.364 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.85 150.82 37.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.574 ' HB3' HG12 ' A' ' 14' ' ' VAL . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 12' ' ' ASP . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' OH ' ' A' ' 39' ' ' TYR . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.859 HG13 ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.859 ' OE1' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.885 HG22 ' HD3' ' A' ' 40' ' ' ARG . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.503 HG23 ' OE1' ' A' ' 84' ' ' GLU . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 80' ' ' VAL . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HB3' HG11 ' A' ' 86' ' ' VAL . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' CE ' HD13 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -78.58 127.48 32.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.889 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.54 119.01 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.35 -50.52 0.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.64 ' HB2' HD11 ' A' ' 51' ' ' LEU . 1.2 m -52.0 -35.82 47.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.7 m 68.51 142.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.1 t -91.64 7.15 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -69.23 62.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' SER . 1.8 p 163.13 108.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.1 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.16 -71.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -30.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -72.62 -51.51 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HA ' ' CB ' ' A' ' 67' ' ' SER . 90.0 mt -65.83 -11.08 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -92.39 -52.57 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.1 mm? -94.83 -67.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.19 -68.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 46.3 t -58.07 -46.43 85.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.8 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 21' ' ' LEU . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.669 ' CB ' HD11 ' A' ' 21' ' ' LEU . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 79' ' ' GLU . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' CD ' HG21 ' A' ' 14' ' ' VAL . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 47' ' ' VAL . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 HD12 ' A' ' 49' ' ' LEU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 48' ' ' ARG . 33.2 m -59.11 135.49 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -169.2 174.95 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.931 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.63 -145.39 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.416 1.073 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.62 6.01 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.4 m -154.78 106.98 2.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -174.3 135.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.69 154.51 47.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 134.69 6.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.133 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.48 -162.48 10.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.22 165.88 11.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -123.6 160.32 27.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.55 94.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -95.56 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.9 111.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 59.93 149.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 155.31 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' O ' HD12 ' A' ' 18' ' ' ILE . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' OH ' ' A' ' 39' ' ' TYR . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 14' ' ' VAL . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 21' ' ' LEU . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 ' CG2' ' A' ' 37' ' ' VAL . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.682 ' O ' HD12 ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 49' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.716 HG22 ' NE ' ' A' ' 40' ' ' ARG . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.894 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.716 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.691 ' CD2' HG22 ' A' ' 47' ' ' VAL . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 42' ' ' PHE . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.798 ' HB3' HG11 ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.29 149.18 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.7 mt-30 -157.45 119.07 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.46 -48.8 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -41.77 -45.64 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.41 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 t -85.41 7.7 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.413 1.071 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -39.29 -56.27 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -128.83 130.07 23.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.4 16.83 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.525 1.802 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 m -55.58 -73.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -37.31 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -63.93 -53.07 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.3 -12.45 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -90.68 -52.77 4.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.98 -62.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ILE . 2.3 ttpp -40.45 -62.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -66.3 -57.69 6.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.53 -47.72 2.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CB ' HD11 ' A' ' 21' ' ' LEU . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 47' ' ' VAL . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.538 ' N ' HG12 ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.798 HG11 ' HB3' ' A' ' 48' ' ' ARG . 4.7 m -68.24 159.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.03 -123.86 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.34 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -109.07 138.32 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p 177.18 107.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -120.3 87.24 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.95 106.79 3.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -150.59 5.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.13 120.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 111.43 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 76.85 0.34 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.097 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -73.74 115.04 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.41 158.38 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.86 143.53 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 14' ' ' VAL . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG21 ' CD ' ' A' ' 79' ' ' GLU . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.66 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.737 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 47' ' ' VAL . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.997 HD11 HD22 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 22' ' ' LEU . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' A' ' 52' ' ' GLN . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.692 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.829 ' CE1' HG22 ' A' ' 47' ' ' VAL . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.829 HG22 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.894 ' HB3' HG11 ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.799 ' HB2' HG23 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -87.26 161.71 17.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -156.25 170.95 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.95 -49.96 1.96 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -48.4 -43.85 34.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.58 147.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -96.59 -2.48 44.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -75.46 66.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p 168.07 109.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -46.34 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -58.23 -67.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -43.22 -30.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 63' ' ' ILE . 1.1 mt -70.3 -61.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.53 ' N ' HG22 ' A' ' 62' ' ' ILE . 38.6 mt -56.93 -18.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -88.9 -58.93 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? -83.53 -64.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.34 -55.44 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -58.51 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.94 -58.68 4.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HG3' HG13 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.933 HD22 HG11 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 5.5 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.846 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.737 HD11 ' HG2' ' A' ' 17' ' ' MET . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.933 HG11 HD22 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 70' ' ' GLN . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.894 HG11 ' HB3' ' A' ' 48' ' ' ARG . 15.8 m -65.49 149.01 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 t -173.99 140.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.86 97.95 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -102.11 113.22 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.3 97.45 7.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.598 1.186 . . . . 0.0 110.065 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -166.43 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -130.86 95.93 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -104.18 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 58.9 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -127.46 155.66 43.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.14 -177.3 6.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -79.36 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 112.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.92 149.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -72.05 160.07 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 39' ' ' TYR . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.594 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.883 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.949 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 26' ' ' ILE . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.916 ' CD2' HG22 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.67 HD13 ' CA ' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.916 HG22 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.87 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB2' HG23 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB3' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.16 148.42 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.7 167.98 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.223 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 -58.39 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.83 -49.81 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.18 155.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 6.5 t -87.19 13.39 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.3 OUTLIER -38.19 -71.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.97 141.12 25.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' SER . 18.2 Cg_endo -75.01 -45.3 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.803 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -38.75 -72.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -44.39 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.71 -55.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' HG22 ' A' ' 62' ' ' ILE . 72.0 mt -60.96 -14.84 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' SER . 33.7 m -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.4 mp -90.49 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -40.52 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -60.72 3.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.82 -53.75 3.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 83' ' ' VAL . 2.5 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 21' ' ' LEU . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 79' ' ' GLU . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.67 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.87 HG11 ' HB3' ' A' ' 48' ' ' ARG . 11.2 m -65.0 159.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.16 149.08 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.99 89.44 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.17 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -49.44 107.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.28 113.59 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.84 81.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -98.44 133.07 43.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.17 141.28 16.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.89 87.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -64.61 -56.77 11.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.86 -168.35 2.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -95.96 -59.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.96 74.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.02 89.18 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.14 149.02 26.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.793 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.729 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 30' ' ' VAL . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.597 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.736 HG21 ' HB ' ' A' ' 37' ' ' VAL . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.736 ' HB ' HG21 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.838 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' CD1' HG22 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.807 HG12 HD21 ' A' ' 49' ' ' LEU . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 52' ' ' GLN . 5.0 tp -85.63 143.15 28.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -157.38 127.04 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.46 54.29 2.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 28.5 t -93.74 -43.43 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' SER . 3.6 t 87.34 142.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 t -124.37 10.36 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -47.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.8 m -134.96 134.14 21.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 108.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -39.88 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -39.31 -69.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -41.07 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.3 mt -66.46 -56.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 mt -61.84 -13.81 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' SER . 21.4 m -92.9 -46.1 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 69' ' ' ILE . 3.9 mm? -94.09 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -40.15 -64.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -48.88 78.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.964 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.71 -59.88 5.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD11 HD12 ' A' ' 65' ' ' LEU . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 21' ' ' LEU . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.807 ' HB2' HD11 ' A' ' 21' ' ' LEU . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.793 ' OE1' HG21 ' A' ' 14' ' ' VAL . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.68 HG11 HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 HD23 ' A' ' 49' ' ' LEU . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m -54.49 102.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -92.57 161.24 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.82 -156.74 10.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.64 127.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.77 108.26 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -177.77 111.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -107.45 92.31 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.96 72.82 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -58.32 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.054 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -172.55 100.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -87.8 -59.47 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 0.725 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.89 103.82 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.48 145.51 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.26 150.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG21 ' OE1' ' A' ' 79' ' ' GLU . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.712 HG22 ' OH ' ' A' ' 39' ' ' TYR . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 20' ' ' GLU . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.681 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ILE . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.617 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.946 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.617 ' HD3' HG22 ' A' ' 38' ' ' ILE . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.746 ' C ' HD22 ' A' ' 49' ' ' LEU . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB2' HG23 ' A' ' 86' ' ' VAL . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.48 155.62 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.555 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -150.77 160.16 44.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.95 -177.27 17.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -44.0 97.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.72 111.44 3.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 108.237 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.894 ' CG2' HD11 ' A' ' 62' ' ' ILE . 93.9 m -106.36 35.24 3.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.84 -39.95 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -55.83 119.65 27.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -47.22 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 m -52.61 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.58 -39.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.894 HD11 ' CG2' ' A' ' 56' ' ' THR . 1.0 OUTLIER -68.29 -53.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' N ' HG22 ' A' ' 62' ' ' ILE . 22.2 mt -58.79 -15.96 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 m -89.5 -48.51 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.465 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 9.9 mt -91.83 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.2 ttpp -39.28 -62.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.56 68.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.4 -61.15 4.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.525 ' HG3' HG13 ' A' ' 83' ' ' VAL . 5.1 tt0 -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 21' ' ' LEU . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 17' ' ' MET . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.848 ' OE1' HG21 ' A' ' 14' ' ' VAL . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.539 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 70' ' ' GLN . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.678 HG22 ' C ' ' A' ' 49' ' ' LEU . 9.7 m -61.33 160.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -178.14 161.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.75 -146.57 4.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 125.14 9.13 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -76.96 143.75 39.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -134.64 96.56 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.78 -58.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -68.1 -59.62 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.061 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.57 -131.37 10.43 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -61.06 -58.8 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -172.46 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.389 1.056 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.0 120.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p -107.35 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.39 0.7 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 79.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.47 84.33 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.2 161.08 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD ' ' A' ' 79' ' ' GLU . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' OH ' ' A' ' 39' ' ' TYR . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 HG22 ' HG ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 24' ' ' THR . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 30' ' ' VAL . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.816 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' ILE . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.867 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.867 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.74 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 80' ' ' VAL . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.887 ' HB3' HG11 ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.793 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -90.12 133.45 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -139.68 155.17 47.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.75 38.44 5.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -82.98 -43.04 16.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.958 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.0 t 72.05 127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 58' ' ' CYS . 4.2 t -102.44 1.58 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' THR . 61.0 p -39.46 -31.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 56' ' ' THR . 25.6 p -150.25 124.25 4.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 108.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.0 m -42.45 -35.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.41 1.069 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG23 ' CD ' ' A' ' 66' ' ' LYS . 2.1 mt -68.74 -59.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.22 -12.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -94.28 -48.16 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.8 mm? -94.47 -67.59 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' CD ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -39.53 -60.19 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -52.26 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.62 -33.94 3.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HG3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HG21 ' A' ' 80' ' ' VAL . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.743 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 79' ' ' GLU . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 73' ' ' LEU . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.777 HG11 ' HG3' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.8 m -64.21 159.06 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -174.46 146.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.16 -80.47 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.18 42.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 151.72 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 t -162.95 170.59 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 63.64 79.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.13 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 -179.76 18.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.63 102.13 6.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -51.87 127.09 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.85 73.65 0.44 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.5 p -86.87 118.53 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.65 96.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.73 105.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.43 170.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.669 HG22 ' OH ' ' A' ' 39' ' ' TYR . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' THR . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD11 ' HD2' ' A' ' 76' ' ' TYR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' GLU . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.934 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.529 ' NH2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' GLN . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 51' ' ' LEU . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.529 HG23 ' NH2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.938 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.57 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.647 ' C ' HD22 ' A' ' 49' ' ' LEU . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.938 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 52' ' ' GLN . 12.0 tp -91.72 154.28 19.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.808 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -158.13 123.64 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.19 82.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.777 ' OG ' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -101.45 -50.57 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.78 . . . . 0.0 110.038 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.8 t -178.3 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 56' ' ' THR . 92.1 m -93.43 36.21 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.392 1.057 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.83 -14.37 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m -149.76 140.81 14.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.81 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.078 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -38.43 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.459 HG23 ' CG ' ' A' ' 66' ' ' LYS . 1.8 mt -69.9 -58.49 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.84 -12.65 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 65' ' ' LEU . 7.7 m -94.9 -49.64 5.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 64' ' ' THR . 4.4 mm? -94.92 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -42.2 -67.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -58.56 -44.48 89.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.057 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.47 19.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.784 ' CE ' HD11 ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.603 ' HB2' HG13 ' A' ' 80' ' ' VAL . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HD2' HD11 ' A' ' 21' ' ' LEU . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.57 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 49' ' ' LEU . 19.7 m -50.58 146.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 t -135.22 -62.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.15 116.06 4.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 177.09 9.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.7 m -100.47 145.11 28.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.1 t -167.9 102.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.944 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -141.72 132.99 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.57 -160.19 23.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t 61.87 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -127.99 98.86 5.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.34 -173.98 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -111.36 175.3 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.31 78.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.03 83.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.87 137.11 36.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.559 HG23 ' OE2' ' A' ' 79' ' ' GLU . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' OH ' ' A' ' 39' ' ' TYR . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' THR . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 26' ' ' ILE . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' OD2' HD11 ' A' ' 38' ' ' ILE . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.663 HG22 ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.636 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.663 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.953 HG12 ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.958 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' HD13 ' A' ' 38' ' ' ILE . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 52' ' ' GLN . 4.2 tp -83.97 143.84 29.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.855 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -160.44 161.42 32.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.94 -66.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -73.46 -18.02 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 m 48.43 -97.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.234 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' CYS . 12.8 t -112.39 -25.55 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.6 p -157.84 151.0 18.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.88 21.47 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -82.08 -33.68 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 t -88.56 -26.12 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.99 -57.75 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.3 mt -63.92 -12.1 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 m -94.2 -51.11 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.2 mm? -94.9 -66.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -40.91 -67.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -57.62 -48.36 79.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.87 -38.88 10.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 26' ' ' ILE . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' HG21 ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 21' ' ' LEU . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 81' ' ' GLU . 6.7 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.593 ' CB ' HD11 ' A' ' 21' ' ' LEU . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE2' HG23 ' A' ' 14' ' ' VAL . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.544 HG23 HG23 ' A' ' 47' ' ' VAL . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 49' ' ' LEU . 2.9 m -51.33 141.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.99 63.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.27 121.61 0.64 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.09 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.76 21.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.4 t -162.66 -57.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -131.18 -59.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -144.02 126.55 15.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -96.53 134.0 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.11 -132.59 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -173.2 99.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.94 161.41 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.072 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.9 -117.66 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.634 1.209 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -76.28 -53.27 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.08 -147.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 44.64 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -82.55 163.84 21.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.752 HG22 ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.69 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.716 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' ILE . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 30' ' ' VAL . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.927 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.039 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.499 HD13 ' CA ' ' A' ' 82' ' ' GLY . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.039 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.893 ' HB3' HG11 ' A' ' 86' ' ' VAL . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 86' ' ' VAL . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.09 160.22 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' N ' HD22 ' A' ' 51' ' ' LEU . 5.9 pt20 -141.2 139.07 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.86 55.95 1.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -80.36 -44.23 19.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.38 127.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.8 t -105.37 5.19 31.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.59 95.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' THR . 21.5 m 65.17 149.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -59.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -55.83 -31.27 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.08 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.1 mt -69.83 -62.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.8 mt -61.29 -13.87 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -89.86 -51.55 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 3.6 mt -94.73 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -39.95 -65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -66.2 -43.88 85.48 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.71 -51.47 10.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 83' ' ' VAL . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.69 ' CE ' HD11 ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 21' ' ' LEU . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.704 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' HG3' ' A' ' 70' ' ' GLN . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.893 HG11 ' HB3' ' A' ' 48' ' ' ARG . 32.3 m -63.12 145.16 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.06 -65.93 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.54 168.87 26.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 132.53 15.44 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 46.18 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -67.23 148.41 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -133.28 122.72 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 42.62 87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 95.02 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -79.0 124.65 28.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -54.92 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 118.43 0.37 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -91.12 -59.48 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.411 0.712 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -176.12 105.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' GLU . 35.4 tt0 59.75 149.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.716 ' OD1' HG11 ' A' ' 15' ' ' VAL . 43.1 m-20 -71.45 162.86 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.837 HG22 ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 20' ' ' GLU . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' ILE . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.837 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.714 ' HB3' HG11 ' A' ' 86' ' ' VAL . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 86' ' ' VAL . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.025 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.32 149.93 23.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.793 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -153.03 123.4 7.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.93 146.78 18.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.3 m -96.56 -37.86 10.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 0.721 . . . . 0.0 110.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.34 70.87 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.309 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 1.109 ' CG2' HD11 ' A' ' 62' ' ' ILE . 65.1 m -130.42 13.06 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 m -75.1 66.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.6 p -170.23 117.19 0.5 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.0 Cg_endo -75.07 -66.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.2 m -39.46 -61.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.42 -41.02 38.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.109 HD11 ' CG2' ' A' ' 56' ' ' THR . 1.1 mt -67.58 -53.76 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.65 -12.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -96.16 -49.23 5.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mp -94.7 -66.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -43.48 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -57.58 -43.62 84.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -46.63 56.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.147 HD12 HG11 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.147 HG11 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.723 HG22 ' C ' ' A' ' 49' ' ' LEU . 15.5 m -58.96 146.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 169.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.64 -152.6 9.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.1 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -168.62 146.03 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.974 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG22 ' CB ' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.802 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.884 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.697 HG22 ' OE2' ' A' ' 84' ' ' GLU . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 42' ' ' PHE . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.859 ' HB3' HG11 ' A' ' 86' ' ' VAL . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.747 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HB2' HG23 ' A' ' 86' ' ' VAL . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 ' CB ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 22' ' ' LEU . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.748 ' CG ' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.578 ' HG3' HG23 ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.697 ' OE2' HG22 ' A' ' 46' ' ' ILE . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 48' ' ' ARG . 28.5 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.557 HG21 ' CD ' ' A' ' 79' ' ' GLU . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG22 ' OH ' ' A' ' 39' ' ' TYR . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 73' ' ' LEU . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 HG23 ' A' ' 37' ' ' VAL . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 51' ' ' LEU . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.703 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CD2' HG22 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.94 HG22 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HB3' HG13 ' A' ' 37' ' ' VAL . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.89 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.4 tp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD13 ' A' ' 21' ' ' LEU . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CB ' HD11 ' A' ' 21' ' ' LEU . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 17' ' ' MET . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.557 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.573 HG13 HD23 ' A' ' 49' ' ' LEU . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 49' ' ' LEU . 9.3 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.824 HG22 ' OH ' ' A' ' 39' ' ' TYR . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 26' ' ' ILE . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.784 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.824 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.784 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.994 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.994 HG22 ' CD2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.553 ' CD ' HG11 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.713 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.777 ' HB2' HG23 ' A' ' 86' ' ' VAL . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 21' ' ' LEU . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 HG23 ' HG3' ' A' ' 79' ' ' GLU . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 77' ' ' ILE . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.777 HG23 ' HB2' ' A' ' 50' ' ' LYS . 17.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' A' ' 17' ' ' MET . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.745 HG13 ' HE2' ' A' ' 39' ' ' TYR . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 14' ' ' VAL . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD22 HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' GLU . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 26' ' ' ILE . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 44.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' HD11 ' A' ' 38' ' ' ILE . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.848 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.745 ' HE2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.488 ' NE ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CD2' HG22 ' A' ' 47' ' ' VAL . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.665 ' O ' HD22 ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.816 ' HB3' HG11 ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.71 ' C ' HG22 ' A' ' 86' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 51' ' ' LEU . 1.2 tp . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 21' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.529 ' CB ' HD11 ' A' ' 21' ' ' LEU . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 14' ' ' VAL . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG22 ' NE2' ' A' ' 74' ' ' GLN . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.654 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 49' ' ' LEU . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.816 HG11 ' HB3' ' A' ' 48' ' ' ARG . 26.5 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.707 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 42' ' ' PHE . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG22 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.897 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 18' ' ' ILE . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CA ' ' A' ' 82' ' ' GLY . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.685 ' C ' HD22 ' A' ' 49' ' ' LEU . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HE3' HD13 ' A' ' 38' ' ' ILE . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 69' ' ' ILE . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.483 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 22' ' ' LEU . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 17' ' ' MET . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 77' ' ' ILE . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.417 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CG ' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' CD ' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 39' ' ' TYR . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.556 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 26' ' ' ILE . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 27' ' ' ARG . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' NE ' HG22 ' A' ' 38' ' ' ILE . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.722 ' CD1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.562 HD13 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.931 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB2' HG23 ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.965 HD13 HG11 ' A' ' 80' ' ' VAL . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 17' ' ' MET . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.748 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.965 HG11 HD13 ' A' ' 73' ' ' LEU . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.562 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 49' ' ' LEU . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.931 HG11 ' HB3' ' A' ' 48' ' ' ARG . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.428 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.847 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 21' ' ' LEU . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.619 HG21 ' HB ' ' A' ' 37' ' ' VAL . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 51' ' ' LEU . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.795 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CA ' ' A' ' 82' ' ' GLY . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.847 HD22 HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.1 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 80' ' ' VAL . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.781 ' HB2' HD11 ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 17' ' ' MET . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD22 ' A' ' 73' ' ' LEU . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.437 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 70' ' ' GLN . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 48' ' ' ARG . 34.2 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG22 ' OH ' ' A' ' 39' ' ' TYR . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 20' ' ' GLU . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.783 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 26' ' ' ILE . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 12.7 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 27' ' ' ARG . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.677 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 46' ' ' ILE . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.871 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.779 HD12 HG13 ' A' ' 83' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.709 ' HB2' HG23 ' A' ' 86' ' ' VAL . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.48 ' SD ' HD11 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CB ' HD11 ' A' ' 21' ' ' LEU . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 77' ' ' ILE . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 49' ' ' LEU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.445 ' N ' HG12 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.621 ' HG3' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.6 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' OH ' ' A' ' 39' ' ' TYR . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.578 ' O ' HD12 ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.716 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.614 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.806 ' HB3' HG11 ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.688 ' HB2' HG23 ' A' ' 86' ' ' VAL . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.55 ' SD ' HD22 ' A' ' 21' ' ' LEU . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.69 HD22 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.69 HG21 HD22 ' A' ' 73' ' ' LEU . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' A' ' 48' ' ' ARG . 5.4 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.574 ' HB3' HG12 ' A' ' 14' ' ' VAL . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 12' ' ' ASP . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' OH ' ' A' ' 39' ' ' TYR . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.859 HG13 ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.859 ' OE1' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.885 HG22 ' HD3' ' A' ' 40' ' ' ARG . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.503 HG23 ' OE1' ' A' ' 84' ' ' GLU . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 80' ' ' VAL . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HB3' HG11 ' A' ' 86' ' ' VAL . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' CE ' HD13 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 21' ' ' LEU . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.669 ' CB ' HD11 ' A' ' 21' ' ' LEU . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 79' ' ' GLU . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' CD ' HG21 ' A' ' 14' ' ' VAL . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 47' ' ' VAL . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 HD12 ' A' ' 49' ' ' LEU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 48' ' ' ARG . 33.2 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' O ' HD12 ' A' ' 18' ' ' ILE . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' OH ' ' A' ' 39' ' ' TYR . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 14' ' ' VAL . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 21' ' ' LEU . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 ' CG2' ' A' ' 37' ' ' VAL . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.682 ' O ' HD12 ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 49' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.716 HG22 ' NE ' ' A' ' 40' ' ' ARG . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.894 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.716 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.691 ' CD2' HG22 ' A' ' 47' ' ' VAL . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 42' ' ' PHE . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.798 ' HB3' HG11 ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CB ' HD11 ' A' ' 21' ' ' LEU . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 47' ' ' VAL . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.538 ' N ' HG12 ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.798 HG11 ' HB3' ' A' ' 48' ' ' ARG . 4.7 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 14' ' ' VAL . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG21 ' CD ' ' A' ' 79' ' ' GLU . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.66 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.737 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 47' ' ' VAL . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.886 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.997 HD11 HD22 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 22' ' ' LEU . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.692 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.829 ' CE1' HG22 ' A' ' 47' ' ' VAL . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.829 HG22 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.894 ' HB3' HG11 ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.799 ' HB2' HG23 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.6 tt0 -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.933 HD22 HG11 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.9 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.846 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.737 HD11 ' HG2' ' A' ' 17' ' ' MET . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.933 HG11 HD22 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 70' ' ' GLN . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.894 HG11 ' HB3' ' A' ' 48' ' ' ARG . 15.8 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.547 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 39' ' ' TYR . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.594 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.883 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.949 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.611 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 26' ' ' ILE . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 7.8 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.403 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.916 ' CD2' HG22 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.67 HD13 ' CA ' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.916 HG22 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.87 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB2' HG23 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB3' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 83' ' ' VAL . 6.6 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 21' ' ' LEU . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 12.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 79' ' ' GLU . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.67 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.87 HG11 ' HB3' ' A' ' 48' ' ' ARG . 11.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.793 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.729 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 30' ' ' VAL . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.597 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.736 HG21 ' HB ' ' A' ' 37' ' ' VAL . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.736 ' HB ' HG21 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.838 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.682 ' CD1' HG22 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.807 HG12 HD21 ' A' ' 49' ' ' LEU . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.0 tp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 21' ' ' LEU . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 3.8 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.807 ' HB2' HD11 ' A' ' 21' ' ' LEU . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.793 ' OE1' HG21 ' A' ' 14' ' ' VAL . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.68 HG11 HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 HD23 ' A' ' 49' ' ' LEU . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.848 HG21 ' OE1' ' A' ' 79' ' ' GLU . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.712 HG22 ' OH ' ' A' ' 39' ' ' TYR . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 20' ' ' GLU . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.681 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ILE . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 16.8 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.617 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.946 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.617 ' HD3' HG22 ' A' ' 38' ' ' ILE . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.539 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.746 ' C ' HD22 ' A' ' 49' ' ' LEU . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB2' HG23 ' A' ' 86' ' ' VAL . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.525 ' HG3' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 21' ' ' LEU . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 17' ' ' MET . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.848 ' OE1' HG21 ' A' ' 14' ' ' VAL . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.539 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 70' ' ' GLN . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.678 HG22 ' C ' ' A' ' 49' ' ' LEU . 9.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD ' ' A' ' 79' ' ' GLU . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' OH ' ' A' ' 39' ' ' TYR . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.525 HG22 ' HG ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 24' ' ' THR . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 30' ' ' VAL . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.816 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' ILE . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.867 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.867 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.74 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 80' ' ' VAL . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.887 ' HB3' HG11 ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.793 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HG3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HG21 ' A' ' 80' ' ' VAL . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.743 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 79' ' ' GLU . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 73' ' ' LEU . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.777 HG11 ' HG3' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.8 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.669 HG22 ' OH ' ' A' ' 39' ' ' TYR . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' THR . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD11 ' HD2' ' A' ' 76' ' ' TYR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' GLU . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.934 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.529 ' NH2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' GLN . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 51' ' ' LEU . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.529 HG23 ' NH2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.938 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.57 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.647 ' C ' HD22 ' A' ' 49' ' ' LEU . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.938 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.781 ' HB2' HG22 ' A' ' 37' ' ' VAL . 12.0 tp . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.784 ' CE ' HD11 ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.603 ' HB2' HG13 ' A' ' 80' ' ' VAL . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HD2' HD11 ' A' ' 21' ' ' LEU . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.57 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 49' ' ' LEU . 19.7 m . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.559 HG23 ' OE2' ' A' ' 79' ' ' GLU . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' OH ' ' A' ' 39' ' ' TYR . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' THR . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 26' ' ' ILE . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 32.7 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' OD2' HD11 ' A' ' 38' ' ' ILE . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.663 HG22 ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.636 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.663 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.953 HG12 ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.958 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' HD13 ' A' ' 38' ' ' ILE . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.681 ' HB2' HG12 ' A' ' 37' ' ' VAL . 4.2 tp . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 26' ' ' ILE . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' HG21 ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 21' ' ' LEU . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 9.9 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.593 ' CB ' HD11 ' A' ' 21' ' ' LEU . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE2' HG23 ' A' ' 14' ' ' VAL . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.544 HG23 HG23 ' A' ' 47' ' ' VAL . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 49' ' ' LEU . 2.9 m . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.752 HG22 ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.69 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.716 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' ILE . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 30' ' ' VAL . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.927 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.039 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.499 HD13 ' CA ' ' A' ' 82' ' ' GLY . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.039 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.893 ' HB3' HG11 ' A' ' 86' ' ' VAL . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 86' ' ' VAL . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 83' ' ' VAL . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.69 ' CE ' HD11 ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 21' ' ' LEU . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.704 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.499 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' HG3' ' A' ' 70' ' ' GLN . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.893 HG11 ' HB3' ' A' ' 48' ' ' ARG . 32.3 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.716 ' OD1' HG11 ' A' ' 15' ' ' VAL . 43.1 m-20 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.837 HG22 ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 20' ' ' GLU . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' ILE . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.6 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.837 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.714 ' HB3' HG11 ' A' ' 86' ' ' VAL . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 86' ' ' VAL . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.147 HD12 HG11 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.147 HG11 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.723 HG22 ' C ' ' A' ' 49' ' ' LEU . 15.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.76 -41.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.1 p -141.77 -55.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.55 113.5 2.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -172.05 93.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.33 117.82 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.83 148.86 11.65 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.7 p -99.99 174.12 6.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.74 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -70.0 78.63 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.85 95.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -74.89 144.49 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -174.54 2.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.78 -24.9 56.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.578 HG23 ' HG3' ' A' ' 79' ' ' GLU . 10.2 p -74.46 -45.78 45.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' OH ' ' A' ' 39' ' ' TYR . 4.9 t -64.75 -57.37 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.28 -34.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 4.5 ttm -69.39 -59.83 2.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 mt -52.01 -48.01 41.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -46.46 -52.68 12.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -51.68 -65.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -52.16 -21.33 3.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.9 -29.93 26.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.2 m-20 -89.83 -35.85 15.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.4 p -37.62 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -137.37 41.57 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.974 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.7 mt -114.04 -56.39 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -72.93 -48.37 8.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.98 -4.01 14.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 m -96.66 -46.52 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.585 1.178 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 26' ' ' ILE . 86.5 t -51.27 -54.84 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -42.09 -51.41 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 -39.98 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -77.38 -65.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 157.63 83.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 157.21 163.34 12.39 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -126.54 110.21 13.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG22 ' CB ' ' A' ' 51' ' ' LEU . 42.6 t -88.9 121.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.467 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -130.17 107.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.802 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -73.85 104.24 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -127.4 92.2 3.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.29 137.16 8.35 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.884 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.2 t80 -142.9 115.25 8.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.1 tm-20 -145.66 152.05 39.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 42.97 27.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.3 -41.73 3.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.142 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.697 HG22 ' OE2' ' A' ' 84' ' ' GLU . 2.7 mp -51.54 100.56 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.884 HG22 ' CD2' ' A' ' 42' ' ' PHE . 84.2 t -76.0 117.97 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.859 ' HB3' HG11 ' A' ' 86' ' ' VAL . 68.2 mtt85 -71.31 110.21 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.747 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -122.49 141.56 51.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.76 ' HB2' HG23 ' A' ' 86' ' ' VAL . 26.5 ttpt -108.53 69.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 ' CB ' HG22 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -99.55 159.06 15.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.48 121.67 3.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.43 132.87 5.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -96.99 -46.06 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 0.799 . . . . 0.0 110.036 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 6.2 t -65.27 99.86 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 t -73.88 -23.83 59.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.35 57.23 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.8 m 66.66 147.77 0.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.3 Cg_endo -75.04 -50.52 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.505 1.792 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 35.4 m -39.84 -53.99 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.2 t -56.71 -44.03 81.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -62.81 -56.37 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.3 mt -63.67 -12.24 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.7 m -92.0 -50.99 5.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.6 mt -94.55 -62.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.1 -64.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 t -62.82 -44.44 96.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.78 -39.92 17.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.3 mt -62.38 -59.87 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.13 -36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -70.3 -51.78 27.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 69' ' ' ILE . 37.0 ttp -43.43 -49.36 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.697 HD11 ' CD2' ' A' ' 22' ' ' LEU . 2.3 tp -53.59 -66.53 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.67 -50.48 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 1.3 t80 -46.28 -55.54 7.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.748 ' CG ' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -72.25 -55.4 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.493 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 23.4 mm -99.42 109.31 54.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.03 12.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.967 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.578 ' HG3' HG23 ' A' ' 14' ' ' VAL . 22.7 mm-40 -73.68 -68.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.2 p -48.88 156.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -126.67 -45.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -144.34 -174.47 16.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -130.39 159.96 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.697 ' OE2' HG22 ' A' ' 46' ' ' ILE . 2.0 pt-20 -151.72 153.63 34.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -99.24 87.89 3.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.859 HG11 ' HB3' ' A' ' 48' ' ' ARG . 28.5 m -68.49 137.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.53 96.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.53 173.13 33.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 121.49 6.63 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.6 115.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.5 p -114.81 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.054 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 p -156.89 163.09 39.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 110.061 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -131.03 141.63 50.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.93 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 73.04 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.01 167.74 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.17 161.17 2.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 99.73 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -84.3 -59.23 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.59 -147.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -104.09 168.02 9.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 152.61 42.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.0 174.26 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -63.44 -27.85 69.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.557 HG21 ' CD ' ' A' ' 79' ' ' GLU . 6.1 p -74.42 -39.24 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.355 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG22 ' OH ' ' A' ' 39' ' ' TYR . 5.4 t -57.55 -58.52 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.58 -33.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -68.26 -61.22 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.418 ' CD1' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mt -47.67 -54.7 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 18' ' ' ILE . 35.1 mttt -39.8 -46.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.874 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -55.53 -53.86 51.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 73' ' ' LEU . 2.2 mt -55.86 -20.87 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -51.01 5.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -34.32 78.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.874 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -41.96 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.69 48.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.764 HD12 ' O ' ' A' ' 21' ' ' LEU . 55.2 mt -123.63 -47.21 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.394 1.059 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -73.27 -49.05 7.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.91 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -91.09 -58.45 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 HG23 ' A' ' 37' ' ' VAL . 2.8 m -53.94 -36.3 30.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -41.94 -57.79 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.43 -31.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.7 t70 -58.52 -60.47 3.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.32 -50.81 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.96 -129.25 5.05 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -176.25 156.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.89 HG22 ' HB2' ' A' ' 51' ' ' LEU . 74.3 t -108.63 113.98 45.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.9 mp -118.13 120.01 63.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.703 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -79.38 105.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -127.37 91.81 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.22 130.65 6.28 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.94 ' CD2' HG22 ' A' ' 47' ' ' VAL . 7.6 t80 -143.11 113.7 7.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -142.6 153.59 43.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.346 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' GLU . 30.4 t70 40.17 29.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.417 1.073 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.13 -42.85 3.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mp -47.27 100.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.562 0.801 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.94 HG22 ' CD2' ' A' ' 42' ' ' PHE . 69.1 t -80.52 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.435 1.085 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.713 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.5 mtm-85 -89.01 109.15 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.729 ' HB3' HG13 ' A' ' 37' ' ' VAL . 1.3 mm? -112.17 144.16 42.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ASP . 16.5 ttmt -100.49 70.57 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.97 HD12 ' N ' ' A' ' 52' ' ' GLN . 1.4 tp -88.41 137.81 31.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.24 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.97 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.48 173.52 16.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.59 149.52 6.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' THR . 4.3 m -90.15 -46.88 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.976 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 108.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' SER . 2.7 t -101.84 -25.6 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t 68.85 -69.21 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.957 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -161.34 159.5 23.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 108.264 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.22 18.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.565 1.824 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -58.04 4.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 m -50.5 -36.62 34.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.2 mt -67.1 -55.97 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.93 -12.97 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.1 m -94.34 -45.43 7.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.38 -64.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.13 -59.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -64.54 -47.78 77.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.902 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.91 -49.76 22.4 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.5 -51.98 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 0.725 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 16.7 tt0 -44.41 -45.36 8.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.95 -48.46 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.0 ttp -49.96 -51.26 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD13 ' A' ' 21' ' ' LEU . 7.9 tp -51.33 -60.58 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -56.66 -53.38 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.5 t80 -42.3 -54.73 3.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CB ' HD11 ' A' ' 21' ' ' LEU . 18.7 m-85 -70.73 -55.73 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 17' ' ' MET . 12.8 mm -100.41 114.58 65.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.38 21.4 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.557 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.9 mm-40 -64.89 -70.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -45.87 143.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.31 -49.77 2.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -124.59 -176.76 14.72 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.573 HG13 HD23 ' A' ' 49' ' ' LEU . 35.5 t -141.68 146.71 22.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -145.25 136.5 24.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -91.52 75.09 5.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 110.347 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 49' ' ' LEU . 9.3 m -49.97 132.85 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 76.9 p -141.01 158.23 44.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.967 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -147.87 -152.78 5.76 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.54 1.15 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -63.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.445 1.76 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.1 t -153.85 153.32 31.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.979 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.6 t -83.02 75.13 9.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.944 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.02 89.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 p -110.54 132.48 54.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.9 160.68 24.53 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.4 142.36 43.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -168.38 105.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.68 -157.77 0.9 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 m -68.32 -59.55 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.03 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 179.97 76.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.86 83.05 5.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.26 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -95.81 151.97 18.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.255 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.41 177.4 4.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.59 -29.49 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -70.37 -44.14 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.824 HG22 ' OH ' ' A' ' 39' ' ' TYR . 43.0 t -57.66 -59.89 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.9 -29.38 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -73.26 -55.77 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.968 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.433 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.3 mt -58.05 -44.69 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -42.84 -51.97 5.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.568 1.168 . . . . 0.0 109.276 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -56.75 -58.33 8.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -48.5 -22.92 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -88.64 -37.63 15.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' GLU . 2.2 m-20 -76.62 -35.6 57.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.5 p -36.44 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -141.48 43.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.717 ' O ' HG23 ' A' ' 30' ' ' VAL . 54.5 mt -118.96 -58.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -64.61 -49.62 69.4 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.01 -7.3 19.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 m -94.52 -22.81 17.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 26' ' ' ILE . 90.7 t -89.86 -48.75 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.507 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -54.5 -19.77 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.99 -1.11 24.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -110.08 -57.37 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.7 -73.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.085 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.74 -154.01 0.03 OUTLIER Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -167.02 140.44 3.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.07 124.47 43.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.784 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.1 mp -131.95 107.35 12.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.824 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -75.14 104.18 5.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.784 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -128.38 92.22 3.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.26 136.44 7.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.994 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.6 t80 -142.86 109.1 5.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 0.722 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -137.03 151.77 49.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.4 OUTLIER 39.49 30.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 85.69 -42.98 3.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.9 mp -48.99 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.994 HG22 ' CD2' ' A' ' 42' ' ' PHE . 62.1 t -79.42 117.68 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.429 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.553 ' CD ' HG11 ' A' ' 86' ' ' VAL . 7.7 mtm180 -69.51 115.11 8.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.713 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -126.47 139.76 52.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.777 ' HB2' HG23 ' A' ' 86' ' ' VAL . 35.0 ttpt -106.37 68.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.89 150.85 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.8 125.84 11.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.6 -138.95 8.78 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.5 t -97.13 -38.33 9.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 0.787 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.8 p 178.71 166.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.341 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -106.25 11.71 30.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.336 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -46.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.5 p -118.14 112.04 38.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -23.64 13.53 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.41 -71.33 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 110.065 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -43.66 -38.13 2.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.943 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.1 mt -66.17 -57.56 10.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' N ' HG22 ' A' ' 62' ' ' ILE . 89.8 mt -62.41 -13.33 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -92.22 -48.61 6.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' LYS . 1.6 mt -93.63 -64.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.11 -63.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -47.37 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.012 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.69 -38.3 3.06 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.445 1.091 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.5 mt -74.91 -49.11 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -44.47 -51.29 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -50.12 -60.91 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 25.3 ttp -40.34 -46.55 2.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 21' ' ' LEU . 4.1 tp -55.83 -55.99 25.87 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.88 -38.95 92.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -57.43 -53.12 61.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.736 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.1 m-85 -72.18 -54.87 8.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 HG23 ' HG3' ' A' ' 79' ' ' GLU . 95.2 mt -112.78 114.29 49.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -8.15 19.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' HG3' HG23 ' A' ' 77' ' ' ILE . 4.3 mm-40 -57.99 -60.9 3.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.419 ' H ' HG12 ' A' ' 80' ' ' VAL . 1.9 p -61.36 159.14 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -126.6 -43.73 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -171.53 16.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.1 m -128.39 167.05 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.766 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.12 124.69 7.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -80.98 78.54 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.359 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.777 HG23 ' HB2' ' A' ' 50' ' ' LYS . 17.3 m -65.03 145.74 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 m 53.89 103.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.051 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.5 75.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.13 3.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 43.25 91.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.052 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 m 60.57 84.24 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -150.34 166.53 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.52 102.34 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.3 168.68 23.52 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -112.47 97.97 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 110.022 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.5 p -162.63 149.89 13.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.382 1.051 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.03 162.8 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.5 m -86.38 -59.86 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.32 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.98 72.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.03 159.11 12.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.44 -178.56 3.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -71.05 -24.26 62.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' HA ' ' HE3' ' A' ' 17' ' ' MET . 9.3 p -74.13 -39.52 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.223 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.745 HG13 ' HE2' ' A' ' 39' ' ' TYR . 33.2 t -71.04 -47.85 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.0 -21.98 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 14' ' ' VAL . 3.0 ttm -79.23 -58.97 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.462 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.8 mt -53.72 -41.88 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -47.13 -57.13 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -54.12 -56.92 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 110.225 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HD12 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -56.38 -21.08 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD22 HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -84.81 -8.64 58.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' O ' ' CG ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -114.61 -36.26 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' GLU . 8.3 p -36.1 -69.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.407 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -152.27 36.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 30' ' ' VAL . 17.4 mt -113.45 -56.35 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 ttt180 -69.62 -48.03 24.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.02 -5.34 16.67 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 49.2 m -97.11 -58.78 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.612 1.195 . . . . 0.0 110.38 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 26' ' ' ILE . 99.0 t -40.92 -45.36 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 44.9 mt-30 -49.89 -54.21 21.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -45.73 -36.09 4.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.667 ' CG ' HD22 ' A' ' 65' ' ' LEU . 0.8 OUTLIER -83.19 -54.36 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.29 85.53 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' HG12 ' A' ' 30' ' ' VAL . . . 162.16 154.2 7.44 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' HD11 ' A' ' 38' ' ' ILE . 32.6 t0 -116.85 125.04 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 109.271 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.848 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.8 p -89.02 126.56 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.848 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.1 OUTLIER -133.65 95.84 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.745 ' HE2' HG13 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.83 103.59 2.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 111.067 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.488 ' NE ' HG22 ' A' ' 38' ' ' ILE . 0.7 OUTLIER -128.88 92.25 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 137.67 8.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.651 ' CD2' HG22 ' A' ' 47' ' ' VAL . 10.9 t80 -143.27 109.47 5.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 0.793 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.49 144.91 32.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.357 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 53.51 19.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -36.79 3.18 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.3 mm -53.96 100.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.665 ' O ' HD22 ' A' ' 49' ' ' LEU . 90.4 t -76.57 130.96 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.816 ' HB3' HG11 ' A' ' 86' ' ' VAL . 97.2 mtt180 -87.63 107.39 18.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.71 ' C ' HG22 ' A' ' 86' ' ' VAL . 1.2 mm? -112.69 134.95 53.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 38' ' ' ILE . 13.1 ttpt -95.0 68.94 3.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 52' ' ' GLN . 1.2 tp -76.88 124.89 28.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -156.92 119.11 3.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.09 -148.63 5.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.08 -16.45 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.405 0.709 . . . . 0.0 109.978 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.02 40.97 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -123.65 -1.46 8.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.162 . . . . 0.0 110.392 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.75 13.14 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.497 1.123 . . . . 0.0 110.028 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.29 137.45 30.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -35.41 3.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.792 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 64' ' ' THR . 54.0 m -62.22 -70.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.043 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 60' ' ' SER . 60.6 m -38.72 -38.24 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -75.57 -52.29 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' N ' HG22 ' A' ' 62' ' ' ILE . 66.5 mt -59.92 -15.49 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.2 m -89.46 -51.97 5.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.398 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.667 HD22 ' CG ' ' A' ' 33' ' ' ASP . 3.6 mp -91.02 -64.62 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.53 -63.02 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.7 -60.26 4.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.51 -53.63 2.86 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 65' ' ' LEU . 2.8 mt -55.14 -55.47 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 0.785 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -39.27 -54.97 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.075 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -48.07 -55.3 10.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.0 ttp -53.16 -52.72 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 21' ' ' LEU . 7.1 tp -50.3 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.447 ' NE2' HG22 ' A' ' 80' ' ' VAL . 0.7 OUTLIER -49.51 -53.21 24.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 6.1 t80 -44.82 -60.35 2.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.529 ' CB ' HD11 ' A' ' 21' ' ' LEU . 11.5 m-85 -67.4 -56.03 11.31 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.411 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 15.4 mm -100.2 110.89 61.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -11.95 21.37 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' HG23 ' A' ' 14' ' ' VAL . 24.2 mm-40 -61.59 -69.15 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG22 ' NE2' ' A' ' 74' ' ' GLN . 1.0 OUTLIER -48.11 160.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -124.34 -47.79 1.86 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.654 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -144.59 -158.89 7.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.59 1.181 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.53 HG13 HD23 ' A' ' 49' ' ' LEU . 3.0 t -145.45 154.53 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.35 132.34 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 2.4 tm0? -78.02 79.54 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.816 HG11 ' HB3' ' A' ' 48' ' ' ARG . 26.5 m -62.85 101.16 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.41 146.36 48.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.66 -171.62 13.25 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.65 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.37 155.06 21.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.8 p -141.45 153.32 44.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -144.78 148.53 34.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -122.29 149.42 43.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 6' ' ' SER . . . -116.05 91.69 0.55 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.6 -82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' GLY . 9.5 t -116.04 92.58 3.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.11 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.33 -124.48 27.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.472 1.108 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 m -92.33 175.45 6.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.953 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.52 77.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 87.9 3.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.23 137.84 36.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -169.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -75.43 -27.72 59.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -72.76 -41.45 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 t -51.94 -60.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.17 -28.6 41.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.707 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -67.23 -58.77 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.957 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.525 HD13 ' CE1' ' A' ' 42' ' ' PHE . 5.1 mt -55.86 -41.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -54.03 -50.96 65.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.77 -60.82 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -52.13 -20.89 2.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -83.79 -29.64 27.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -91.08 -34.86 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.7 p -36.37 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -145.48 42.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.25 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.919 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -117.32 -63.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -60.71 -50.15 86.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 -7.31 19.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.421 1.748 . . . . 0.0 111.031 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.1 m -97.17 -32.26 12.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.34 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 26' ' ' ILE . 39.5 t -84.96 -43.54 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 16.3 pt20 -58.26 -20.84 45.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.21 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.27 -11.21 47.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -86.55 -69.11 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 -62.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' CA ' ' O ' ' A' ' 52' ' ' GLN . . . -89.0 -167.97 43.49 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -133.13 154.3 50.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.715 HG22 ' HG ' ' A' ' 51' ' ' LEU . 4.9 t -120.86 104.53 15.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG22 ' CD ' ' A' ' 40' ' ' ARG . 5.1 mp -113.13 111.78 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.897 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.88 103.86 6.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.79 91.93 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.113 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.05 134.78 6.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 18' ' ' ILE . 68.0 t80 -142.92 108.24 5.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.2 tt0 -136.15 147.79 47.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 t0 40.41 29.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.49 -41.87 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.417 HD13 ' CA ' ' A' ' 82' ' ' GLY . 19.0 mm -43.42 101.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.672 HG12 HD21 ' A' ' 49' ' ' LEU . 41.7 t -74.82 126.01 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.685 ' C ' HD22 ' A' ' 49' ' ' LEU . 68.5 mtt180 -89.3 109.76 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.897 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -115.0 154.19 29.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HE3' HD13 ' A' ' 38' ' ' ILE . 10.2 ttpp -107.08 70.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 ' HG ' HG22 ' A' ' 37' ' ' VAL . 0.6 OUTLIER -75.96 129.37 36.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' O ' ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -159.46 118.7 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.89 -154.45 8.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 m -92.65 -37.66 12.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 25.9 p -168.94 156.45 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.45 ' OG1' HD12 ' A' ' 62' ' ' ILE . 13.2 t -80.32 -25.15 39.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.472 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 70.62 -61.11 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.2 m -164.89 152.92 10.4 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.56 8.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 97.1 p -56.53 -60.66 3.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.5 -42.21 64.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.981 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.0 OUTLIER -63.34 -53.74 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.1 mt -63.24 -12.4 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -95.43 -43.53 7.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.2 mm? -93.48 -64.35 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -45.1 -65.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -53.28 17.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 -37.02 5.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 69' ' ' ILE . 16.8 mm -79.94 -44.95 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.483 ' CG ' HG11 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -53.39 -45.86 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -55.77 -59.72 4.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 42.8 ttp -39.57 -41.26 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 22' ' ' LEU . 1.8 tp -57.85 -59.68 4.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -61.7 -49.74 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.1 t80 -42.68 -56.72 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.7 m-85 -70.56 -54.15 13.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.707 HD11 ' HG2' ' A' ' 17' ' ' MET . 8.4 mm -99.62 109.5 55.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.369 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -3.88 14.58 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.547 1.814 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 77' ' ' ILE . 3.8 mt-10 -71.19 -72.56 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.559 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.5 162.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.0 mt-10 -132.3 -58.11 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.417 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -126.87 176.67 17.63 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CG ' ' A' ' 70' ' ' GLN . 5.2 m -125.4 162.48 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.57 137.37 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.525 ' HG3' ' CB ' ' A' ' 51' ' ' LEU . 1.2 tm0? -89.48 83.78 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m -50.45 110.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.4 p -73.66 148.86 42.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.31 83.0 0.16 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 98.96 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.389 1.731 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.93 164.22 30.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.3 t 63.85 136.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.013 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -118.12 105.76 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.082 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -138.44 111.46 7.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.65 111.33 1.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.66 163.27 37.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 0.8 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m 56.38 169.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.92 -105.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -88.51 -52.61 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -154.86 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.32 97.45 4.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.0 161.46 25.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.63 -168.84 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.83 -24.28 38.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' CD ' ' A' ' 79' ' ' GLU . 8.1 p -78.67 -40.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 39' ' ' TYR . 24.3 t -58.77 -55.78 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.34 -32.67 26.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.556 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.96 -58.25 8.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.959 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' O ' HD23 ' A' ' 22' ' ' LEU . 4.9 mt -53.2 -52.75 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 18' ' ' ILE . 53.2 mttt -38.03 -49.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -58.22 -60.86 3.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.46 1.1 . . . . 0.0 110.235 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD13 ' CD2' ' A' ' 73' ' ' LEU . 0.9 OUTLIER -53.33 -20.34 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -87.5 -33.31 19.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.419 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.7 OUTLIER -85.39 -27.31 25.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -47.47 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.435 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 29' ' ' THR . 82.2 mtt180 -126.1 40.87 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' LEU . 20.7 mt -113.18 -67.21 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.6 OUTLIER -61.96 -49.23 86.36 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.258 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -74.96 -4.06 14.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' A' ' 25' ' ' ARG . 1.3 m -94.89 -38.38 10.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.613 1.195 . . . . 0.0 110.405 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 26' ' ' ILE . 76.8 t -65.04 -42.58 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -43.96 -53.85 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.59 -31.85 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.9 OUTLIER -81.77 -67.07 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 148.41 68.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.15 -178.71 40.17 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.89 121.35 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.29 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 27' ' ' ARG . 3.5 p -95.43 126.7 47.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.2 mp -132.04 94.68 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -69.64 104.03 2.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 111.065 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' NE ' HG22 ' A' ' 38' ' ' ILE . 31.3 mmt180 -128.91 92.13 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.89 137.36 8.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.722 ' CD1' HG22 ' A' ' 47' ' ' VAL . 66.3 t80 -143.65 107.83 4.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' GLY . 3.6 mm-40 -136.73 151.25 49.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' GLU . 22.4 t70 40.09 29.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.5 -41.91 3.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.562 HD13 ' CA ' ' A' ' 82' ' ' GLY . 12.9 mm -44.67 101.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 ' CD1' ' A' ' 42' ' ' PHE . 48.7 t -79.64 113.2 18.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.931 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.5 mtm-85 -73.35 109.65 7.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 83' ' ' VAL . 0.2 OUTLIER -131.09 133.15 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.806 ' HB2' HG23 ' A' ' 86' ' ' VAL . 20.9 ttpt -92.74 69.97 4.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.33 150.86 22.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.81 123.31 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 -179.66 16.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.098 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 t -89.19 -23.18 22.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 0.748 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.24 44.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -106.6 -4.74 19.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.6 t -71.7 -18.0 62.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.989 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.21 126.7 24.28 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.39 1.056 . . . . 0.0 108.35 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HA ' ' HB ' ' A' ' 62' ' ' ILE . 18.1 Cg_endo -74.96 -16.45 20.3 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.07 -60.4 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.384 1.053 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -37.76 87.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.4 mt -63.5 -61.88 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 67' ' ' SER . 80.9 mt -56.81 -16.44 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -90.0 -42.57 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 mp -91.46 -67.2 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -42.92 -63.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -51.46 -52.05 49.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.86 -41.93 21.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.1 mt -64.25 -57.67 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 0.73 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.44 -40.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.362 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.75 -63.55 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.6 ttp -45.62 -50.73 13.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.965 HD13 HG11 ' A' ' 80' ' ' VAL . 1.3 tm? -59.87 -45.55 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.532 ' HG2' HG13 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.68 -56.3 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -38.35 -47.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.519 ' CD2' HD11 ' A' ' 21' ' ' LEU . 26.1 m-85 -73.69 -55.23 6.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.556 HD11 ' HG2' ' A' ' 17' ' ' MET . 7.4 mm -102.44 109.99 61.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.748 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.8 mm-40 -69.91 -67.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.965 HG11 HD13 ' A' ' 73' ' ' LEU . 1.1 p -43.68 158.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.76 -45.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.562 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -149.56 -170.04 16.62 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 49' ' ' LEU . 79.8 t -132.85 151.43 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -146.74 156.6 43.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.47 92.01 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.931 HG11 ' HB3' ' A' ' 48' ' ' ARG . 27.0 m -70.57 101.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m -62.5 -63.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.71 170.76 47.43 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 85.33 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.564 1.823 . . . . 0.0 110.966 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.43 129.5 15.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.97 106.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 109.983 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.04 129.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.027 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -147.04 133.86 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.48 129.15 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -70.4 -58.55 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 m 58.96 91.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.09 118.35 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.17 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -101.43 112.93 25.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 0.703 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.13 79.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.8 79.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.208 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.01 142.53 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.01 -157.47 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.249 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.23 -24.15 24.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG21 ' CG ' ' A' ' 79' ' ' GLU . 6.1 p -76.74 -37.8 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.3 t -56.72 -60.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.51 -30.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.428 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -71.36 -61.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.057 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.572 HD13 ' CE2' ' A' ' 42' ' ' PHE . 5.7 mt -51.05 -40.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -47.2 -44.92 22.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -65.54 -56.52 11.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -51.36 -20.8 1.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.847 HD11 HD22 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.54 -37.54 21.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -81.31 -36.17 30.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.4 p -36.31 -86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -143.48 44.97 1.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 21' ' ' LEU . 46.0 mt -120.58 -50.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.1 ttt180 -75.02 -49.14 4.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.04 0.93 8.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.398 1.736 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -96.85 -43.85 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.619 HG21 ' HB ' ' A' ' 37' ' ' VAL . 10.7 m -78.13 -34.62 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.532 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.7 pt20 -63.67 -20.92 66.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 13.0 tt0 -71.24 -10.91 60.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -97.57 -59.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.13 -60.37 0.08 OUTLIER Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.44 -158.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -165.46 144.21 6.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.798 HG23 ' HB3' ' A' ' 51' ' ' LEU . 2.0 p -99.01 132.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -136.93 109.13 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.795 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -74.09 103.98 4.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 111.042 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.94 91.4 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.249 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.65 134.29 6.89 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.557 1.161 . . . . 0.0 111.056 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 47' ' ' VAL . 27.7 t80 -143.18 108.94 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.1 OUTLIER -137.81 153.19 49.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.3 m-20 39.74 29.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.25 -42.49 3.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.437 HD13 ' CA ' ' A' ' 82' ' ' GLY . 29.6 mm -45.18 100.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 42' ' ' PHE . 53.1 t -78.34 111.4 15.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.706 ' HB3' HG11 ' A' ' 86' ' ' VAL . 16.4 mtt180 -70.82 120.6 16.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.847 HD22 HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -132.07 146.51 52.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 38' ' ' ILE . 36.0 ttpt -108.25 67.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.203 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.36 149.77 22.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.85 142.52 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.29 47.88 1.03 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -94.45 -38.26 11.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 0.725 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 69.8 144.53 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.5 t -115.6 7.42 14.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.98 -50.4 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.69 139.06 28.04 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 108.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -34.56 3.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.561 1.822 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.6 OUTLIER -46.73 -61.04 2.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -48.99 -40.25 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.8 mt -65.13 -59.48 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.6 mt -61.86 -13.59 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' SER . 1.8 m -87.5 -55.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.409 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -93.33 -60.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.97 -62.56 0.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -65.33 -47.81 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.42 -57.01 6.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.16 -61.76 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.472 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.1 tt0 -40.84 -54.88 2.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -51.54 -59.23 4.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 ttp -39.04 -45.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -56.89 -54.26 48.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.422 HE21 HG22 ' A' ' 80' ' ' VAL . 5.8 mp0 -65.47 -36.98 85.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -57.18 -57.0 14.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.781 ' HB2' HD11 ' A' ' 21' ' ' LEU . 19.3 m-85 -71.68 -55.76 7.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 17' ' ' MET . 16.8 mm -101.21 113.91 65.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -12.39 21.56 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.541 1.811 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' CG ' HG21 ' A' ' 14' ' ' VAL . 3.1 mm-40 -65.48 -62.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.25 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.817 HG11 HD22 ' A' ' 73' ' ' LEU . 1.9 p -61.4 151.73 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.18 -48.79 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.437 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -143.55 -176.69 17.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.057 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG13 ' HG3' ' A' ' 70' ' ' GLN . 17.4 m -121.31 163.93 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 139.02 22.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CG ' HD13 ' A' ' 51' ' ' LEU . 7.8 tm0? -93.87 83.71 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.706 HG11 ' HB3' ' A' ' 48' ' ' ARG . 34.2 m -63.88 139.49 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.0 t 71.71 78.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.153 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.52 -160.69 9.88 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.15 13.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -145.61 159.02 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.94 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.6 m 61.85 -94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.972 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -65.88 171.66 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -167.41 107.91 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.001 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.2 69.52 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -144.79 114.77 7.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -171.21 -59.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.88 -155.25 23.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -93.63 -59.18 2.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 0.743 . . . . 0.0 109.968 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -178.15 103.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.07 75.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.18 157.93 16.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -113.48 -175.91 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -70.27 -25.05 63.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.1 p -72.11 -43.07 67.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG22 ' OH ' ' A' ' 39' ' ' TYR . 24.2 t -63.36 -53.25 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.99 -32.1 44.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.201 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.1 ttm -68.02 -56.14 10.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.7 mt -61.73 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -41.15 -47.94 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.751 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -61.83 -60.67 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.085 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -40.34 -28.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.218 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.18 -46.89 10.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.526 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -64.79 -47.85 76.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 20' ' ' GLU . 31.9 p -28.42 -91.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.389 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -151.04 51.22 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.0 mt -125.23 -51.35 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.783 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -68.5 -50.03 28.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.337 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.08 -0.78 10.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -92.2 -19.86 21.79 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 26' ' ' ILE . 56.8 t -89.09 -35.4 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.44 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 12.7 mt-30 -50.24 -46.6 54.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.46 -22.09 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -85.69 -54.85 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.85 -55.33 0.28 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.31 -159.91 4.69 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -166.94 144.03 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.764 . . . . 0.0 109.309 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' ' 27' ' ' ARG . 2.8 p -97.48 133.73 38.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -136.44 104.02 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.677 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -69.82 103.13 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 39' ' ' TYR . 1.0 OUTLIER -129.15 92.01 3.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.09 136.64 7.15 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.582 1.176 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' ' 47' ' ' VAL . 43.6 t80 -143.04 107.63 4.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 0.738 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLY . 15.9 pt-20 -135.77 149.38 49.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' HD12 ' A' ' 46' ' ' ILE . 54.9 m-20 39.25 30.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.72 -42.53 3.16 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' H ' HD12 ' A' ' 46' ' ' ILE . 2.8 mp -41.51 101.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 42' ' ' PHE . 93.7 t -77.66 111.13 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.871 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.5 mtt180 -70.68 108.5 4.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.779 HD12 HG13 ' A' ' 83' ' ' VAL . 1.1 mt -122.56 141.68 51.43 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.709 ' HB2' HG23 ' A' ' 86' ' ' VAL . 22.3 ttpt -108.86 69.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -100.25 145.07 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.229 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.758 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -149.05 174.42 12.32 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.451 1.095 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.8 137.47 4.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.5 t -119.34 89.35 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 108.308 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -75.62 -23.64 56.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.58 -161.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.47 156.5 73.4 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 108.262 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -39.98 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.799 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.75 -39.1 4.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 64' ' ' THR . 3.3 m -88.43 -45.71 9.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 109.943 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -47.09 -49.35 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' N ' HG22 ' A' ' 62' ' ' ILE . 83.2 mt -41.48 -28.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 61' ' ' SER . 29.2 m -58.49 -47.25 84.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.3 mp -90.37 -58.24 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 65' ' ' LEU . 6.0 ttpp -39.77 -58.41 1.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 t -76.19 -35.01 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.28 -26.48 13.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 34.0 mt -85.41 -46.61 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -48.39 -44.68 35.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -70.58 -39.6 73.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.48 ' SD ' HD11 ' A' ' 26' ' ' ILE . 3.1 tmm? -64.2 -47.6 79.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.023 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.085 HD23 HD13 ' A' ' 21' ' ' LEU . 6.1 mt -56.78 -65.62 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 81' ' ' GLU . 1.0 OUTLIER -47.35 -50.72 21.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -45.99 -54.82 7.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.648 ' CB ' HD11 ' A' ' 21' ' ' LEU . 22.1 m-85 -66.21 -56.0 13.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 111.059 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.3 mt -111.6 118.59 46.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.9 -5.11 16.39 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 77' ' ' ILE . 5.4 mm-40 -67.65 -70.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -48.17 155.42 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 3.2 mt-10 -121.11 -45.65 2.35 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -140.07 -164.92 10.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG13 HD12 ' A' ' 49' ' ' LEU . 67.6 t -145.17 162.72 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.445 ' N ' HG12 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -159.1 147.72 18.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.621 ' HG3' HD13 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -91.69 83.7 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.6 m -66.13 159.86 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.3 t -176.06 129.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.89 97.4 0.34 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 110.92 3.21 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -117.51 166.66 12.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.7 t -124.66 -61.09 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 115.52 17.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.419 0.717 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -146.1 146.07 30.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.11 118.17 5.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.79 166.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -88.1 134.59 33.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.61 154.17 29.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -94.08 -58.49 2.22 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.459 0.74 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.99 125.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -39.8 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.08 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -83.72 131.85 34.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.57 -163.79 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.63 -26.93 29.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.41 -38.75 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.543 HG22 ' OH ' ' A' ' 39' ' ' TYR . 17.5 t -65.38 -59.12 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.47 -35.38 8.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 ttm -67.69 -63.91 0.96 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.9 mt -51.93 -50.43 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -43.23 -55.45 3.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.854 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -56.1 -47.78 77.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.55 HD22 ' SD ' ' A' ' 72' ' ' MET . 1.1 mt -60.23 -20.05 57.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -42.45 12.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.42 -34.58 63.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.1 p -38.45 -90.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -144.13 45.1 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.4 mt -119.41 -48.93 3.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -75.51 -48.12 4.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.228 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -74.97 -0.45 9.97 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.492 1.785 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.7 m -92.95 -40.65 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 33' ' ' ASP . 68.7 t -64.94 -44.13 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -43.79 -50.33 7.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.61 -33.24 21.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 30' ' ' VAL . 7.6 t0 -82.54 -66.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 155.37 74.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.67 171.66 39.04 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.578 ' O ' HD12 ' A' ' 38' ' ' ILE . 2.0 m-20 -138.51 114.59 10.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.781 HG23 ' HB3' ' A' ' 51' ' ' LEU . 0.6 OUTLIER -90.42 115.12 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.578 HD12 ' O ' ' A' ' 36' ' ' ASP . 3.0 mp -122.8 116.95 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.716 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -81.28 104.53 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -128.38 92.48 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 130.56 5.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.4 t80 -142.93 108.05 4.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -140.13 146.28 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 52.93 20.21 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' HA2' ' CE1' ' A' ' 42' ' ' PHE . . . 86.5 -23.7 9.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.614 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.7 mm -64.2 100.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.252 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.1 t -75.51 127.95 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.806 ' HB3' HG11 ' A' ' 86' ' ' VAL . 47.1 mtt180 -88.4 109.22 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -112.16 143.39 43.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.688 ' HB2' HG23 ' A' ' 86' ' ' VAL . 17.9 ttpt -110.95 67.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -97.26 150.04 21.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -154.96 120.99 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.45 93.71 0.14 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 p -47.79 -44.43 28.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 0.734 . . . . 0.0 110.067 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.71 97.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -76.34 -23.08 54.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 110.364 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.21 47.26 5.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.1 m 68.8 153.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 108.304 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -28.9 8.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.71 -60.33 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -34.03 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.055 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.4 mt -67.62 -64.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.87 -16.71 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.2 m -85.94 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.4 mp -86.1 -61.34 1.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.21 -55.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.91 -37.6 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -36.92 46.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' MET . 5.5 mt -74.46 -50.41 26.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.12 -39.56 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.9 -41.64 82.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.55 ' SD ' HD22 ' A' ' 21' ' ' LEU . 2.8 tmm? -49.78 -64.92 0.66 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.69 HD22 HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -39.89 -66.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -51.85 -55.67 18.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.97 -53.95 7.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -68.01 -54.99 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 79' ' ' GLU . 91.6 mt -111.84 115.97 50.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.78 10.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.5 mm-40 -70.54 -44.77 66.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.69 HG21 HD22 ' A' ' 73' ' ' LEU . 33.8 t -61.78 150.21 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.35 -41.55 2.61 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.614 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.97 167.5 39.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.148 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.9 143.64 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -139.97 131.95 27.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 11.6 tm0? -77.31 84.74 3.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.806 HG11 ' HB3' ' A' ' 48' ' ' ARG . 5.4 m -61.73 128.0 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.83 -57.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 151.18 131.69 1.83 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.6 t -87.18 154.5 20.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.17 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.6 t -171.39 105.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -116.63 148.86 40.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.28 128.19 11.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.918 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 169.19 44.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -139.03 102.67 4.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.786 . . . . 0.0 109.959 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 103.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.61 74.92 0.58 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 m -82.52 112.36 19.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.22 75.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.96 79.92 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.385 1.053 . . . . 0.0 110.364 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -75.85 150.82 37.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.574 ' HB3' HG12 ' A' ' 14' ' ' VAL . 9.4 t70 -110.17 175.08 5.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.13 -17.58 63.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG12 ' HB3' ' A' ' 12' ' ' ASP . 6.0 p -83.47 -34.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' OH ' ' A' ' 39' ' ' TYR . 19.0 t -62.66 -57.04 13.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.92 -33.78 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -57.14 5.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.1 mt -55.49 -49.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' ILE . 11.4 mttt -39.7 -46.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -60.75 -56.16 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 76' ' ' TYR . 1.4 mt -54.43 -19.87 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -84.73 -22.42 29.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -99.49 -33.85 10.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.353 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 25' ' ' ARG . 2.8 p -36.45 -41.96 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.38 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 24' ' ' THR . 0.0 OUTLIER 158.89 52.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.359 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.406 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 5.9 mt -114.81 -47.43 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.619 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 7.7 mtp180 -79.97 -44.37 1.49 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.21 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.05 2.48 6.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.2 m -96.61 -67.99 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.859 HG13 ' OE1' ' A' ' 31' ' ' GLN . 8.1 p -57.95 -34.06 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.859 ' OE1' HG13 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -54.78 -23.64 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.34 -19.87 59.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -109.45 42.0 1.55 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.49 91.41 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.85 165.89 34.01 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.28 130.59 33.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 0.3 OUTLIER -126.27 114.46 38.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.885 HG22 ' HD3' ' A' ' 40' ' ' ARG . 2.2 mp -128.34 113.35 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CA ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -76.68 104.19 7.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.885 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.4 OUTLIER -128.78 92.28 3.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.54 134.75 5.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.613 1.196 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -139.85 108.0 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.1 OUTLIER -132.57 141.28 48.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' GLU . 12.5 t0 39.19 37.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 85.02 -44.73 3.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.503 HG23 ' OE1' ' A' ' 84' ' ' GLU . 25.7 mm -40.96 101.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.7 HG23 HG13 ' A' ' 80' ' ' VAL . 16.9 t -80.28 110.46 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.748 ' HB3' HG11 ' A' ' 86' ' ' VAL . 81.0 mtt-85 -69.65 110.27 4.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -122.21 146.9 46.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' CE ' HD13 ' A' ' 38' ' ' ILE . 37.6 ttpt -99.52 72.4 1.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.889 HD12 ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -78.58 127.48 32.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.889 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.54 119.01 2.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.35 -50.52 0.88 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.144 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.64 ' HB2' HD11 ' A' ' 51' ' ' LEU . 1.2 m -52.0 -35.82 47.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.556 0.798 . . . . 0.0 110.028 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.7 m 68.51 142.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.1 t -91.64 7.15 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.451 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 58' ' ' CYS . 0.6 OUTLIER -69.23 62.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 57' ' ' SER . 1.8 p 163.13 108.78 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 108.298 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -39.1 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.058 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.16 -71.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.019 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.68 -30.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -72.62 -51.51 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.247 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' HA ' ' CB ' ' A' ' 67' ' ' SER . 90.0 mt -65.83 -11.08 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.1 m -92.39 -52.57 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.1 mm? -94.83 -67.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.19 -68.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.45 ' CB ' ' HA ' ' A' ' 63' ' ' ILE . 46.3 t -58.07 -46.43 85.45 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.8 5.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.1 mt -51.66 -59.5 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -38.94 -53.73 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -54.03 -59.38 4.72 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 37.5 ttp -48.27 -51.34 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.058 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.657 HD12 HD13 ' A' ' 21' ' ' LEU . 9.8 tp -49.8 -63.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -54.91 -49.6 70.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.244 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -46.43 -45.32 17.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.669 ' CB ' HD11 ' A' ' 21' ' ' LEU . 13.2 m-85 -79.21 -56.13 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' ' 79' ' ' GLU . 17.3 mm -105.3 111.24 65.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -1.66 11.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.515 1.797 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' CD ' HG21 ' A' ' 14' ' ' VAL . 2.3 mt-10 -78.82 -24.88 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG13 HG23 ' A' ' 47' ' ' VAL . 20.9 t -81.92 151.92 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.62 -40.53 2.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.584 1.178 . . . . 0.0 110.255 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -160.2 -149.63 5.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 HD12 ' A' ' 49' ' ' LEU . 5.0 t -141.62 158.66 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.446 0.733 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' OE1' HG23 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -147.95 137.58 22.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -95.34 78.86 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 48' ' ' ARG . 33.2 m -59.11 135.49 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 p -169.2 174.95 5.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.931 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -138.63 -145.39 4.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.416 1.073 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.62 6.01 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.464 1.77 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.4 m -154.78 106.98 2.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 m -174.3 135.98 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.69 154.51 47.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 134.69 6.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.133 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.48 -162.48 10.78 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -107.22 165.88 11.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 0.736 . . . . 0.0 109.973 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 p -123.6 160.32 27.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.55 94.51 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 m -95.56 -59.24 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.9 111.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 59.93 149.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 155.31 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 -166.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -83.09 -18.96 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' O ' HD12 ' A' ' 18' ' ' ILE . 5.5 p -84.87 -35.04 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.22 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.428 HG13 ' OH ' ' A' ' 39' ' ' TYR . 53.7 t -70.93 -48.88 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.95 69.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.8 ttm -64.81 -63.94 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 14' ' ' VAL . 5.0 mt -47.65 -53.4 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -41.8 -51.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -56.37 -48.76 76.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.749 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -56.95 -24.19 51.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.51 -49.51 6.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -35.54 80.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.863 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -41.01 -89.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.445 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -152.83 46.85 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 21' ' ' LEU . 60.5 mt -122.64 -49.23 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.01 -48.52 20.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.98 -1.18 10.88 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.6 m -95.16 -63.73 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 110.346 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG21 ' CG2' ' A' ' 37' ' ' VAL . 35.0 m -42.43 -40.99 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -47.72 -53.3 15.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.67 -18.32 7.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -110.35 32.01 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.32 102.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.25 122.96 1.3 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.682 ' O ' HD12 ' A' ' 38' ' ' ILE . 7.7 t0 -101.47 101.23 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 49' ' ' LEU . 23.2 t -88.65 111.52 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.716 HG22 ' NE ' ' A' ' 40' ' ' ARG . 3.3 mp -123.49 112.69 34.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.894 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -73.58 104.85 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.716 ' NE ' HG22 ' A' ' 38' ' ' ILE . 1.2 mmp_? -127.72 92.13 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.62 131.65 7.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.691 ' CD2' HG22 ' A' ' 47' ' ' VAL . 48.9 t80 -143.48 112.16 6.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -145.83 150.1 35.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 53.81 19.79 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.39 -37.06 3.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.105 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mm -55.34 100.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.691 HG22 ' CD2' ' A' ' 42' ' ' PHE . 20.6 t -74.19 139.86 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.798 ' HB3' HG11 ' A' ' 86' ' ' VAL . 71.6 mtt-85 -99.3 108.14 20.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.3 OUTLIER -119.83 119.41 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 86' ' ' VAL . 34.2 ttpt -84.28 70.3 10.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -96.29 149.18 21.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.23 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.474 ' N ' HD12 ' A' ' 51' ' ' LEU . 2.7 mt-30 -157.45 119.07 3.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.46 -48.8 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 t -41.77 -45.64 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 t 66.41 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.8 t -85.41 7.7 21.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.413 1.071 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.7 m -39.29 -56.27 1.56 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.6 p -128.83 130.07 23.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 108.301 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.4 16.83 Favored 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.525 1.802 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.7 m -55.58 -73.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.029 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -37.31 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.9 OUTLIER -63.93 -53.07 48.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.423 1.077 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.3 -12.45 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.4 m -90.68 -52.77 4.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.375 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -92.98 -62.74 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ILE . 2.3 ttpp -40.45 -62.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 t -66.3 -57.69 6.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -39.53 -47.72 2.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.533 1.146 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -66.84 -51.65 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.87 -56.77 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -53.32 -57.02 12.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.0 tmm? -50.33 -51.87 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -44.87 -44.26 9.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.32 -51.58 20.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.231 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.4 t80 -41.22 -43.37 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.747 ' CB ' HD11 ' A' ' 21' ' ' LEU . 24.3 m-85 -76.03 -56.07 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 79' ' ' GLU . 93.2 mt -117.92 117.72 35.25 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.36 12.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.543 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.45 -35.24 73.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.334 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 47' ' ' VAL . 60.8 t -69.51 168.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.538 ' N ' HG12 ' A' ' 80' ' ' VAL . 1.6 mt-10 -137.12 -47.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -153.56 -162.66 11.2 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.0 t -138.41 150.89 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.94 134.49 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 17.7 tm0? -83.14 87.28 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.235 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.798 HG11 ' HB3' ' A' ' 48' ' ' ARG . 4.7 m -68.24 159.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.6 p -143.01 161.35 38.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.03 -123.86 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 83.34 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.8 t -109.07 138.32 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.966 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.8 p 177.18 107.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -120.3 87.24 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.95 106.79 3.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.14 -150.59 5.9 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.13 120.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.774 . . . . 0.0 109.961 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.15 111.43 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.35 76.85 0.34 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.454 1.097 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -73.74 115.04 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 65.7 100.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -54.41 158.38 2.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.421 1.076 . . . . 0.0 110.277 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.86 143.53 57.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.43 ' HB3' HG12 ' A' ' 14' ' ' VAL . 8.3 t70 -96.64 -177.04 3.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -77.88 -20.62 52.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG21 ' CD ' ' A' ' 79' ' ' GLU . 9.8 p -79.78 -34.65 15.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.66 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.6 t -59.31 -59.1 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.13 -30.32 59.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.737 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -63.42 -58.09 8.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.519 HG21 HG11 ' A' ' 47' ' ' VAL . 6.2 mt -52.52 -42.93 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -41.61 -57.6 2.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.8 OUTLIER -55.33 -52.05 64.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.886 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -55.13 -26.81 40.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.997 HD11 HD22 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -79.25 -8.38 58.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -113.69 -35.21 5.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 20' ' ' GLU . 5.1 p -36.25 -54.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.46 40.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 22' ' ' LEU . 13.5 mt -119.29 -56.66 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.642 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -64.45 -49.39 71.72 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -11.5 21.58 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.6 m -97.14 -17.02 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.9 t -94.89 -36.06 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.512 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.8 pt20 -69.29 -17.02 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -77.62 -0.26 25.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -131.14 34.99 3.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.24 82.78 0.06 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' CA ' ' HG2' ' A' ' 52' ' ' GLN . . . 172.43 -170.95 43.97 Favored Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -166.37 132.82 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 27' ' ' ARG . 7.9 p -94.02 131.52 40.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 38' ' ' ILE . 1.6 mp -132.63 100.48 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.692 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -70.96 102.91 2.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.429 1.081 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.88 138.89 9.12 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.829 ' CE1' HG22 ' A' ' 47' ' ' VAL . 71.6 t80 -142.67 107.52 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 0.808 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -101.08 101.0 11.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.586 ' O ' ' CE2' ' A' ' 42' ' ' PHE . 3.1 m-20 62.52 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -129.82 -37.08 0.37 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 HG23 ' HG3' ' A' ' 84' ' ' GLU . 28.0 mm -57.66 100.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.829 HG22 ' CE1' ' A' ' 42' ' ' PHE . 7.6 t -86.15 113.53 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.894 ' HB3' HG11 ' A' ' 86' ' ' VAL . 64.4 mtt85 -69.58 109.07 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -128.41 129.08 45.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.799 ' HB2' HG23 ' A' ' 86' ' ' VAL . 12.9 ttpt -94.56 67.92 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -87.26 161.71 17.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.232 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.674 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -156.25 170.95 21.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.95 -49.96 1.96 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.8 t -48.4 -43.85 34.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 0.732 . . . . 0.0 109.974 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 69.58 147.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 108.234 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.2 t -96.59 -2.48 44.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -75.46 66.93 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p 168.07 109.32 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.339 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -46.34 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.4 m -58.23 -67.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.032 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 m -43.22 -30.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 63' ' ' ILE . 1.1 mt -70.3 -61.66 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.53 ' N ' HG22 ' A' ' 62' ' ' ILE . 38.6 mt -56.93 -18.03 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 91.6 m -88.9 -58.93 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 65' ' ' LEU . 4.2 mm? -83.53 -64.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -40.34 -55.44 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.19 -58.51 6.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.024 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.94 -58.68 4.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.1 mt -55.19 -67.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HG3' HG13 ' A' ' 83' ' ' VAL . 3.6 tt0 -39.1 -48.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' GLN . 0.9 OUTLIER -50.95 -62.52 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.5 ttp -39.04 -45.18 1.2 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.933 HD22 HG11 ' A' ' 80' ' ' VAL . 3.6 mt -57.94 -48.01 81.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 71' ' ' ASN . 7.9 mt-30 -68.9 -34.87 76.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.15 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -60.82 -55.34 34.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.846 ' HB2' HD11 ' A' ' 21' ' ' LEU . 20.7 m-85 -73.33 -55.65 6.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.737 HD11 ' HG2' ' A' ' 17' ' ' MET . 11.4 mm -104.51 119.58 53.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -11.87 21.51 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.701 ' CD ' HG21 ' A' ' 14' ' ' VAL . 3.0 mt-10 -70.75 -67.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.933 HG11 HD22 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -52.87 129.84 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -115.61 -40.63 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -143.18 175.42 23.27 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 70' ' ' GLN . 28.7 m -122.87 162.59 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' HG3' HG23 ' A' ' 46' ' ' ILE . 14.5 mt-10 -148.6 128.33 13.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -78.2 82.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.894 HG11 ' HB3' ' A' ' 48' ' ' ARG . 15.8 m -65.49 149.01 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.3 t -173.99 140.99 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 66.86 97.95 0.03 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.59 3.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 t -102.11 113.22 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.3 97.45 7.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.598 1.186 . . . . 0.0 110.065 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -166.43 -61.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -130.86 95.93 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -104.18 0.39 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 58.9 97.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -127.46 155.66 43.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.14 -177.3 6.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.157 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -79.36 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 110.019 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 112.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.92 149.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -72.05 160.07 33.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -112.13 -177.1 3.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -69.73 -24.5 63.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.223 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.547 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.8 p -75.36 -43.43 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 39' ' ' TYR . 66.4 t -59.76 -43.37 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.68 -19.15 62.03 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.0 ttm -79.12 -57.5 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.594 HD13 ' CE2' ' A' ' 42' ' ' PHE . 4.9 mt -60.11 -47.7 90.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' ILE . 19.3 mttt -40.4 -49.04 2.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.883 ' O ' HG23 ' A' ' 24' ' ' THR . 0.3 OUTLIER -65.24 -45.36 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.949 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -54.88 -19.43 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.611 HD11 HD22 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -90.74 -53.63 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -63.12 -34.27 77.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.883 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -37.4 -92.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.386 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.69 38.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.39 -62.3 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.647 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -58.1 -48.96 96.12 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.03 -13.98 21.2 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.427 1.751 . . . . 0.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 m -80.03 -34.27 38.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.361 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 26' ' ' ILE . 82.4 t -61.65 -47.12 94.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 7.8 mt-30 -48.22 -48.61 34.97 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.52 -21.55 2.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.64 -60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.53 58.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -163.68 177.72 39.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 38' ' ' ILE . 4.6 p30 -148.06 116.29 6.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 0.795 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.2 p -94.21 118.66 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 38' ' ' ILE . 3.5 mp -120.28 103.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.657 ' CE2' HG13 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -72.49 103.69 3.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.403 ' CD ' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -128.44 92.03 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.59 135.18 7.14 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.916 ' CD2' HG22 ' A' ' 47' ' ' VAL . 57.2 t80 -142.79 108.46 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 0.735 . . . . 0.0 110.974 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -138.29 150.03 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 42.61 28.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 86.18 -41.62 3.1 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.67 HD13 ' CA ' ' A' ' 82' ' ' GLY . 34.8 mm -46.3 101.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.916 HG22 ' CD2' ' A' ' 42' ' ' PHE . 90.7 t -79.91 113.13 18.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.87 ' HB3' HG11 ' A' ' 86' ' ' VAL . 6.9 mtt-85 -72.36 109.72 6.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.935 HD12 HG13 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -122.85 141.53 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.681 ' HB2' HG23 ' A' ' 86' ' ' VAL . 37.6 ttpt -104.21 68.99 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.832 ' HB3' HG23 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -95.16 148.42 22.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.7 167.98 26.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.223 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.44 -58.39 0.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.83 -49.81 5.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 0.79 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.18 155.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.353 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 6.5 t -87.19 13.39 9.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' THR . 0.3 OUTLIER -38.19 -71.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 59.4 m -113.97 141.12 25.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 108.27 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 60' ' ' SER . 18.2 Cg_endo -75.01 -45.3 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.803 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -38.75 -72.53 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.985 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -44.39 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -63.71 -55.81 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' HG22 ' A' ' 62' ' ' ILE . 72.0 mt -60.96 -14.84 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 60' ' ' SER . 33.7 m -91.81 -48.8 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.404 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LYS . 8.4 mp -90.49 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -40.52 -62.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.02 -60.72 3.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.82 -53.75 3.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.6 mt -59.7 -42.72 89.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.25 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HG3' HG23 ' A' ' 83' ' ' VAL . 6.6 tt0 -54.86 -48.95 72.26 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.135 . . . . 0.0 110.233 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 74' ' ' GLN . 55.1 t30 -57.78 -61.72 2.32 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.182 . . . . 0.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 76' ' ' TYR . 6.3 tmm? -39.97 -46.72 2.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.949 HD23 HD13 ' A' ' 21' ' ' LEU . 1.5 mt -52.32 -47.36 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ASN . 12.2 mt-30 -69.45 -43.36 73.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.76 -49.46 58.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.639 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.9 m-85 -70.92 -56.07 7.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 79' ' ' GLU . 86.3 mt -114.35 121.07 36.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -2.82 13.04 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.519 1.799 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.1 mm-40 -71.53 -70.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' CA ' ' A' ' 45' ' ' GLY . 0.8 OUTLIER -46.55 157.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -122.87 -55.98 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.67 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -137.95 -166.63 10.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG13 HD12 ' A' ' 49' ' ' LEU . 72.1 t -134.72 159.18 41.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 0.784 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -151.09 144.15 24.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -91.4 80.79 5.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.87 HG11 ' HB3' ' A' ' 48' ' ' ARG . 11.2 m -65.0 159.56 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.16 149.08 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.921 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -127.99 89.44 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.17 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.477 1.777 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -49.44 107.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.28 113.59 27.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.84 81.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -98.44 133.07 43.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.17 141.28 16.12 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.89 87.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -64.61 -56.77 11.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.86 -168.35 2.05 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -95.96 -59.31 1.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.962 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -153.96 74.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.02 89.18 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.14 149.02 26.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.81 177.93 4.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.93 -24.25 67.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.793 HG21 ' OE1' ' A' ' 79' ' ' GLU . 9.6 p -74.89 -48.95 30.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.729 HG22 ' OH ' ' A' ' 39' ' ' TYR . 3.0 t -49.34 -56.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.295 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.28 -32.32 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 14' ' ' VAL . 14.0 ttm -63.67 -51.89 63.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' CE1' ' A' ' 42' ' ' PHE . 11.0 mt -60.68 -51.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -41.14 -49.44 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -60.33 -54.69 42.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.828 HD13 HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -51.08 -21.44 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -46.68 8.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.39 -35.71 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.3 p -36.44 -91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -144.1 43.33 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 30' ' ' VAL . 13.2 mt -120.45 -55.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.597 ' HA ' HG12 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -63.66 -49.48 76.74 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.01 -0.04 9.49 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.519 1.799 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.41 -51.29 4.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.736 HG21 ' HB ' ' A' ' 37' ' ' VAL . 12.9 m -69.02 -36.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 13.4 pt20 -61.23 -19.18 61.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.44 -2.98 24.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -96.47 -53.63 3.53 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.25 -73.25 0.05 OUTLIER Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.14 -140.36 0.08 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 37' ' ' VAL . 6.9 t0 -171.93 147.64 2.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 0.815 . . . . 0.0 109.375 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.736 ' HB ' HG21 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -94.41 123.25 46.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.204 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mp -126.6 107.89 18.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.838 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.33 103.14 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.1 mmt180 -129.14 91.99 3.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.1 140.53 7.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.682 ' CD1' HG22 ' A' ' 47' ' ' VAL . 50.8 t80 -142.69 107.84 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.9 tt0 -92.1 92.36 8.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.542 ' C ' ' O ' ' A' ' 43' ' ' GLU . 26.2 t0 29.23 45.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 129.62 -68.61 0.54 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.9 mm -43.81 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.744 . . . . 0.0 109.244 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.807 HG12 HD21 ' A' ' 49' ' ' LEU . 88.5 t -81.37 126.59 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.728 ' HB3' HG11 ' A' ' 86' ' ' VAL . 5.2 mtt-85 -89.01 108.71 19.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.28 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.12 145.66 40.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.7 ttmt -102.31 67.33 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 52' ' ' GLN . 5.0 tp -85.63 143.15 28.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -157.38 127.04 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.46 54.29 2.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 55' ' ' CYS . 28.5 t -93.74 -43.43 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 110.043 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 54' ' ' SER . 3.6 t 87.34 142.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.186 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.1 t -124.37 10.36 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.57 -47.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.8 m -134.96 134.14 21.54 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 108.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -39.88 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.1 OUTLIER -39.31 -69.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -41.07 3.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 1.3 mt -66.46 -56.47 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.3 mt -61.84 -13.81 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' SER . 21.4 m -92.9 -46.1 7.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 69' ' ' ILE . 3.9 mm? -94.09 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -40.15 -64.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -48.88 78.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.964 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -47.71 -59.88 5.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD11 HD12 ' A' ' 65' ' ' LEU . 1.7 mp -61.77 -51.63 70.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -48.64 -27.08 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -83.61 -47.28 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.3 ttp -46.51 -40.83 13.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.828 HD23 HD13 ' A' ' 21' ' ' LEU . 1.7 mt -59.53 -63.37 1.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 3.8 mt-30 -58.36 -33.97 70.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.7 t80 -60.01 -54.75 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.807 ' HB2' HD11 ' A' ' 21' ' ' LEU . 13.5 m-85 -71.36 -56.09 6.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 79' ' ' GLU . 83.2 mt -105.23 120.78 48.56 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.68 18.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.406 1.74 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.793 ' OE1' HG21 ' A' ' 14' ' ' VAL . 1.3 mm-40 -68.7 -72.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.68 HG11 HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -44.96 142.41 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.422 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.3 mt-10 -125.07 -53.01 1.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.95 -178.56 15.53 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 HG13 HD23 ' A' ' 49' ' ' LEU . 39.2 t -136.96 141.98 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.807 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.24 141.69 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 49' ' ' LEU . 12.3 tm0? -92.5 78.51 4.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 49' ' ' LEU . 3.3 m -54.49 102.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -92.57 161.24 14.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.041 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -117.82 -156.74 10.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.416 1.072 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.64 127.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.77 108.26 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t -177.77 111.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 0.732 . . . . 0.0 110.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.2 t -107.45 92.31 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 110.056 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.96 72.82 0.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.76 -58.32 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 110.054 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -172.55 100.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.06 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.06 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.476 1.11 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -87.8 -59.47 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 0.725 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -155.89 103.82 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.48 145.51 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.26 150.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.46 -156.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -87.46 -18.99 28.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG21 ' OE1' ' A' ' 79' ' ' GLU . 10.0 p -81.06 -33.55 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.712 HG22 ' OH ' ' A' ' 39' ' ' TYR . 2.6 t -63.18 -59.89 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.21 -29.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.598 ' HG2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -66.8 -62.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -48.78 -40.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -48.63 -50.79 31.26 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' O ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -56.02 -63.96 1.01 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -51.75 -21.99 3.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.366 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -80.62 -29.87 36.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.268 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -90.43 -39.61 12.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 20' ' ' GLU . 6.8 p -33.31 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -142.99 43.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 21' ' ' LEU . 44.0 mt -116.17 -51.6 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.681 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.7 OUTLIER -76.77 -47.91 2.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -75.06 -3.12 13.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.1 m -97.28 -36.25 10.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 26' ' ' ILE . 13.0 t -64.66 -45.75 94.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 16.8 mt-30 -42.32 -55.75 3.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -46.24 -33.54 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.203 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' VAL . 2.5 t0 -76.06 -65.45 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.236 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.22 70.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -159.26 27.7 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -160.75 127.41 4.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 27' ' ' ARG . 5.7 p -90.62 127.52 43.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.617 HG22 ' HD3' ' A' ' 40' ' ' ARG . 1.2 mp -133.25 107.96 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.946 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.98 104.86 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.617 ' HD3' HG22 ' A' ' 38' ' ' ILE . 1.1 mmm180 -128.27 92.4 3.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.32 133.35 7.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' CD2' HG22 ' A' ' 47' ' ' VAL . 15.6 t80 -143.44 110.53 5.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 0.727 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 45' ' ' GLY . 5.9 mm-40 -141.58 151.61 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 44.26 26.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.23 -40.46 3.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.539 HD13 ' CA ' ' A' ' 82' ' ' GLY . 5.9 mm -49.45 100.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 0.777 . . . . 0.0 109.363 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 42' ' ' PHE . 24.3 t -78.26 130.37 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.746 ' C ' HD22 ' A' ' 49' ' ' LEU . 59.3 mtm-85 -88.7 108.53 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -117.98 138.67 52.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB2' HG23 ' A' ' 86' ' ' VAL . 18.5 ttpp -103.32 64.98 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.807 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -98.48 155.62 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.555 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -150.77 160.16 44.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -142.95 -177.27 17.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.53 -44.0 97.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -154.72 111.44 3.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 108.237 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.894 ' CG2' HD11 ' A' ' 62' ' ' ILE . 93.9 m -106.36 35.24 3.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.84 -39.95 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.9 p -55.83 119.65 27.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -47.22 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.461 1.769 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 m -52.61 -71.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.58 -39.05 1.49 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.894 HD11 ' CG2' ' A' ' 56' ' ' THR . 1.0 OUTLIER -68.29 -53.59 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' N ' HG22 ' A' ' 62' ' ' ILE . 22.2 mt -58.79 -15.96 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.8 m -89.5 -48.51 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.465 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' LYS . 9.9 mt -91.83 -66.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.2 ttpp -39.28 -62.0 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.56 68.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.4 -61.15 4.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mt -56.21 -43.16 75.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.525 ' HG3' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.77 -46.71 77.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.29 -55.56 31.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ttp -40.78 -42.21 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.436 HD23 HD13 ' A' ' 21' ' ' LEU . 4.3 mt -60.49 -61.47 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -53.31 -41.43 65.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 2.4 t80 -54.19 -55.84 24.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' CD2' HD11 ' A' ' 21' ' ' LEU . 11.8 m-85 -72.7 -56.02 5.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.563 1.164 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 17' ' ' MET . 4.3 mm -101.08 111.61 63.7 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -5.68 17.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.524 1.802 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.848 ' OE1' HG21 ' A' ' 14' ' ' VAL . 3.2 mt-10 -71.6 -66.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 81' ' ' GLU . 1.3 p -52.38 161.75 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.196 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.438 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.3 mm-40 -128.52 -49.93 1.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.539 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -141.5 -175.1 14.79 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.525 HG13 ' HG3' ' A' ' 70' ' ' GLN . 27.6 m -126.81 163.67 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.11 115.47 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.498 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -72.54 76.84 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.678 HG22 ' C ' ' A' ' 49' ' ' LEU . 9.7 m -61.33 160.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 94.0 p -178.14 161.23 1.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.75 -146.57 4.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 125.14 9.13 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -76.96 143.75 39.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.9 p -134.64 96.56 3.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.78 -58.36 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -68.1 -59.62 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.061 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.57 -131.37 10.43 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -61.06 -58.8 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 0.795 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 p -172.46 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.389 1.056 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.0 120.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.7 p -107.35 175.83 5.36 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.39 0.7 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.58 79.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.47 84.33 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -110.2 161.08 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -97.87 -179.79 4.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.4 -19.72 55.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' CD ' ' A' ' 79' ' ' GLU . 5.4 p -82.36 -35.25 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.74 HG22 ' OH ' ' A' ' 39' ' ' TYR . 30.7 t -69.86 -52.37 31.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.2 63.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 109.271 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.0 ttm -63.89 -54.57 32.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.525 HG22 ' HG ' ' A' ' 22' ' ' LEU . 29.5 mt -57.44 -51.55 68.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' ASP . 58.1 mttt -42.43 -55.56 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 24' ' ' THR . 1.6 tm-20 -51.09 -67.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.743 HD11 ' CG ' ' A' ' 76' ' ' TYR . 0.9 OUTLIER -51.72 -20.94 2.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -83.81 -32.43 25.33 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.581 1.176 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -87.48 -35.63 18.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' GLU . 2.4 p -36.87 -89.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -136.87 41.17 2.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.289 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' O ' HG22 ' A' ' 30' ' ' VAL . 14.0 mt -115.89 -59.72 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.816 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -67.1 -49.35 46.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.0 Cg_endo -75.05 -0.86 10.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -61.43 1.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' ILE . 1.5 m -55.4 -29.45 23.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.388 1.055 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -46.46 -54.49 9.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.52 -34.44 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -67.17 -55.45 14.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 162.3 -53.57 0.31 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.75 -144.79 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -179.02 155.29 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.867 ' C ' HD13 ' A' ' 38' ' ' ILE . 4.1 p -95.85 132.98 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.867 HD13 ' C ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -129.22 96.86 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.74 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -70.17 102.44 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.914 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -129.41 91.92 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.451 1.095 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 107.66 145.86 12.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' O ' ' A' ' 44' ' ' ASP . 53.2 t80 -142.16 107.62 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -96.34 95.02 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.624 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.9 OUTLIER 63.81 -74.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' GLU . . . -130.03 -37.99 0.33 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.508 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -58.66 102.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG23 HG13 ' A' ' 80' ' ' VAL . 44.8 t -80.78 116.26 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.887 ' HB3' HG11 ' A' ' 86' ' ' VAL . 7.3 mtm180 -72.06 108.97 5.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.793 ' C ' HG22 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -128.21 140.35 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.744 ' HB2' HG23 ' A' ' 86' ' ' VAL . 21.1 ttpp -101.63 67.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.783 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -90.12 133.45 34.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -139.68 155.17 47.53 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.75 38.44 5.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -82.98 -43.04 16.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.958 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 10.0 t 72.05 127.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 ' C ' ' N ' ' A' ' 58' ' ' CYS . 4.2 t -102.44 1.58 35.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' THR . 61.0 p -39.46 -31.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.924 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' N ' ' C ' ' A' ' 56' ' ' THR . 25.6 p -150.25 124.25 4.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 108.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -28.8 8.77 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.87 -73.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.0 m -42.45 -35.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.41 1.069 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG23 ' CD ' ' A' ' 66' ' ' LYS . 2.1 mt -68.74 -59.92 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.22 -12.93 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.0 m -94.28 -48.16 6.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 66' ' ' LYS . 2.8 mm? -94.47 -67.59 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' CD ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -39.53 -60.19 0.99 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.3 -52.26 66.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -44.62 -33.94 3.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.2 mt -81.78 -49.91 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.777 ' HG3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -50.6 -31.89 17.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -86.44 -51.52 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 32.8 ttp -37.42 -42.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HG21 ' A' ' 80' ' ' VAL . 2.0 mt -61.38 -64.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -54.53 -41.27 69.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.448 ' CD2' ' N ' ' A' ' 76' ' ' TYR . 2.3 t80 -55.09 -57.93 9.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 111.053 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.743 ' CG ' HD11 ' A' ' 21' ' ' LEU . 3.4 m-85 -67.25 -56.0 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 79' ' ' GLU . 97.3 mt -106.37 118.56 54.4 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.7 mm-40 -70.96 -48.86 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.638 HG21 HD22 ' A' ' 73' ' ' LEU . 21.7 t -60.73 146.91 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -122.59 -41.99 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.08 -177.25 27.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.777 HG11 ' HG3' ' A' ' 70' ' ' GLN . 6.3 m -123.8 162.99 23.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -153.75 135.35 14.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.331 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' CG ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.59 80.15 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 48' ' ' ARG . 14.8 m -64.21 159.06 3.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.9 t -174.46 146.04 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -82.16 -80.47 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.18 42.71 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.7 151.72 40.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 t -162.95 170.59 17.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.57 1.169 . . . . 0.0 111.018 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m 63.64 79.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 44.13 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.05 -179.76 18.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.63 102.13 6.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 0.802 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 p -51.87 127.09 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.85 73.65 0.44 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.5 p -86.87 118.53 26.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 0.786 . . . . 0.0 110.096 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.65 96.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.73 105.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.43 170.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -138.45 -174.5 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -70.01 -28.31 65.39 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 110.22 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 p -70.43 -42.4 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.669 HG22 ' OH ' ' A' ' 39' ' ' TYR . 72.8 t -60.48 -50.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.82 -26.48 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -61.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 77' ' ' ILE . 7.0 mt -54.04 -51.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -43.43 -48.04 7.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 24' ' ' THR . 3.5 mt-10 -55.89 -66.96 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD11 ' HD2' ' A' ' 76' ' ' TYR . 2.2 mt -41.43 -27.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -84.49 -53.71 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -61.5 -41.52 97.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 20' ' ' GLU . 11.5 p -35.32 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -163.1 51.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.934 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.3 mt -128.35 -47.36 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.529 ' NH2' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -68.81 -50.03 25.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.96 -5.15 16.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -97.17 -44.78 6.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 26' ' ' ILE . 23.6 t -73.79 -44.8 51.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 11.4 pt20 -57.92 -35.46 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.66 -27.47 67.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -55.57 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.89 -38.17 0.05 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 31' ' ' GLN . . . -86.6 -164.73 40.17 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' LYS . 5.7 m-20 -144.65 111.05 5.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 0.798 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 51' ' ' LEU . 72.3 t -93.53 121.97 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.529 HG23 ' NH2' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -135.96 115.52 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.938 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -75.17 104.81 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 111.072 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' ARG . 2.2 mmt180 -127.54 92.23 3.45 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.44 1.088 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.7 133.78 6.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 47' ' ' VAL . 64.2 t80 -143.18 109.18 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -142.17 145.4 34.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.3 t0 51.16 22.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.18 -38.7 3.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.57 HD13 ' CA ' ' A' ' 82' ' ' GLY . 8.9 mm -50.69 100.87 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.737 HG12 HD21 ' A' ' 49' ' ' LEU . 82.7 t -73.53 126.95 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.647 ' C ' HD22 ' A' ' 49' ' ' LEU . 36.4 mtt-85 -90.07 112.08 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 110.369 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.938 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -113.02 144.99 41.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 36' ' ' ASP . 14.5 ttpt -102.47 65.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD12 ' H ' ' A' ' 52' ' ' GLN . 12.0 tp -91.72 154.28 19.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.808 ' H ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -158.13 123.64 4.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.19 82.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.777 ' OG ' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -101.45 -50.57 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.78 . . . . 0.0 110.038 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.8 t -178.3 58.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 108.344 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' HG22 ' A' ' 56' ' ' THR . 92.1 m -93.43 36.21 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.392 1.057 . . . . 0.0 110.366 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.83 -14.37 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.6 m -149.76 140.81 14.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 108.261 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.12 3.29 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.2 OUTLIER -60.81 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.078 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -38.43 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.459 HG23 ' CG ' ' A' ' 66' ' ' LYS . 1.8 mt -69.9 -58.49 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.84 -12.65 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 65' ' ' LEU . 7.7 m -94.9 -49.64 5.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 64' ' ' THR . 4.4 mm? -94.92 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' CG ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -42.2 -67.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.065 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -58.56 -44.48 89.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.057 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 -54.47 19.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.1 mt -68.28 -51.42 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.413 ' HG3' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -39.02 -42.74 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' LEU . 12.8 t-20 -79.14 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.784 ' CE ' HD11 ' A' ' 26' ' ' ILE . 7.8 tmm? -34.31 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 21' ' ' LEU . 1.5 tm? -61.1 -63.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.603 ' HB2' HG13 ' A' ' 80' ' ' VAL . 3.0 pt20 -73.16 -30.29 63.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 3.3 t80 -37.56 -34.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.055 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HD2' HD11 ' A' ' 21' ' ' LEU . 42.9 m-85 -91.31 -54.02 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 79' ' ' GLU . 50.6 mt -85.46 122.68 73.47 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -12.15 21.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.436 1.756 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 77' ' ' ILE . 2.2 mm-40 -62.12 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 74' ' ' GLN . 0.2 OUTLIER -47.79 159.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.247 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.4 mt-10 -139.61 -46.67 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.57 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -136.75 174.08 21.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' HG3' ' A' ' 70' ' ' GLN . 22.9 m -120.9 157.72 23.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.31 132.32 15.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 6.5 tm0? -89.15 77.62 7.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 49' ' ' LEU . 19.7 m -50.58 146.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.7 t -135.22 -62.39 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.051 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 104.15 116.06 4.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 177.09 9.02 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.7 m -100.47 145.11 28.67 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.1 t -167.9 102.91 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.944 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -141.72 132.99 26.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.63 140.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.57 -160.19 23.68 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.561 1.163 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t 61.87 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.032 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.9 p -127.99 98.86 5.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.34 -173.98 0.95 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.8 m -111.36 175.3 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.31 78.52 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.473 1.108 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.03 83.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -79.87 137.11 36.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -115.16 -167.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.15 -21.58 42.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.559 HG23 ' OE2' ' A' ' 79' ' ' GLU . 8.2 p -76.67 -41.6 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG22 ' OH ' ' A' ' 39' ' ' TYR . 71.2 t -67.61 -59.26 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.41 -35.48 1.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.4 ttm -69.45 -59.23 3.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.74 -50.44 79.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.226 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -40.82 -47.71 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 24' ' ' THR . 0.6 OUTLIER -61.12 -63.8 1.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD13 HD23 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -46.14 -23.94 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -88.19 -41.59 12.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.43 1.081 . . . . 0.0 109.274 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -72.4 -36.9 68.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 20' ' ' GLU . 3.1 p -35.72 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 mtp85 -145.84 44.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 ' O ' HG23 ' A' ' 30' ' ' VAL . 11.0 mt -117.87 -55.79 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.3 OUTLIER -70.18 -49.18 18.65 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 110.366 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.1 Cg_endo -75.08 -5.98 17.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.8 m -87.41 -57.53 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 26' ' ' ILE . 73.7 t -47.94 -40.83 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 27' ' ' ARG . 32.7 mt-30 -46.17 -55.04 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -33.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.381 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -70.95 -64.3 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.43 67.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -176.31 163.95 33.52 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' OD2' HD11 ' A' ' 38' ' ' ILE . 8.8 p-10 -116.65 107.26 14.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 51' ' ' LEU . 0.9 OUTLIER -103.1 124.09 56.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.663 HG22 ' HD3' ' A' ' 40' ' ' ARG . 0.5 OUTLIER -139.91 122.42 16.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.636 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -77.32 103.97 7.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.945 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.663 ' HD3' HG22 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -127.31 91.97 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.304 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.12 135.53 6.09 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 46.8 t80 -141.98 108.74 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 111.017 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 45' ' ' GLY . 30.2 mt-10 -138.47 144.47 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 45.35 27.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HA ' ' A' ' 80' ' ' VAL . . . 87.74 -41.7 3.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.089 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -44.8 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.953 HG12 ' CD1' ' A' ' 49' ' ' LEU . 70.1 t -73.33 106.15 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 40' ' ' ARG . 4.7 mtt180 -69.78 108.98 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.356 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.958 ' O ' HG22 ' A' ' 86' ' ' VAL . 3.7 mp -110.24 157.39 19.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HE3' HD13 ' A' ' 38' ' ' ILE . 27.1 ttpp -114.42 70.22 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 52' ' ' GLN . 4.2 tp -83.97 143.84 29.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.855 ' N ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -160.44 161.42 32.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.94 -66.4 1.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 56' ' ' THR . 1.0 OUTLIER -73.46 -18.02 61.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.998 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.2 m 48.43 -97.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.234 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' CYS . 12.8 t -112.39 -25.55 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 2.6 p -157.84 151.0 18.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 108.321 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -12.88 21.47 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.8 t -82.08 -33.68 29.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.7 t -88.56 -26.12 22.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.99 -57.75 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 54.3 mt -63.92 -12.1 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 m -94.2 -51.11 4.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.386 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 65' ' ' LEU . 1.2 mm? -94.9 -66.76 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -40.91 -67.24 0.26 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -57.62 -48.36 79.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -46.87 -38.88 10.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.449 1.093 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 26' ' ' ILE . 29.2 mt -82.72 -40.43 16.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.475 ' HG2' HG21 ' A' ' 83' ' ' VAL . 8.1 mt-30 -48.96 -36.89 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -81.83 -62.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.6 ttp -39.81 -41.17 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 21' ' ' LEU . 5.2 mt -61.65 -59.69 4.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 81' ' ' GLU . 9.9 mt-30 -61.55 -28.21 69.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 3.1 t80 -65.66 -55.23 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.593 ' CB ' HD11 ' A' ' 21' ' ' LEU . 15.0 m-85 -69.06 -51.82 34.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' CG2' ' HG3' ' A' ' 79' ' ' GLU . 94.8 mt -112.79 120.91 39.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -11.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.559 ' OE2' HG23 ' A' ' 14' ' ' VAL . 2.3 mm-40 -60.61 -72.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.544 HG23 HG23 ' A' ' 47' ' ' VAL . 1.6 p -45.64 153.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.403 1.064 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 2.0 mt-10 -121.67 -40.79 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.06 -164.53 12.86 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG21 ' HG2' ' A' ' 70' ' ' GLN . 10.4 t -133.62 152.43 34.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -152.96 160.09 43.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.13 88.12 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG22 ' O ' ' A' ' 49' ' ' LEU . 2.9 m -51.33 141.27 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 75.99 63.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.584 1.177 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.27 121.61 0.64 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.443 1.09 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.76 21.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.4 t -162.66 -57.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 m -131.18 -59.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 m -144.02 126.55 15.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m -96.53 134.0 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.11 -132.59 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -173.2 99.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 109.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -178.94 161.41 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.072 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.9 -117.66 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.634 1.209 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 m -76.28 -53.27 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.08 -147.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 44.64 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -82.55 163.84 21.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.55 -176.09 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.8 -27.82 67.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG23 ' HG3' ' A' ' 79' ' ' GLU . 9.1 p -70.7 -43.82 77.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.752 HG22 ' OH ' ' A' ' 39' ' ' TYR . 12.4 t -59.5 -58.55 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.05 -33.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HB3' ' CD1' ' A' ' 77' ' ' ILE . 6.5 ttm -73.98 -55.46 6.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mt -55.2 -47.99 76.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -41.51 -59.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -57.79 -58.54 7.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.704 HD11 ' CB ' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.73 -21.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -88.67 -36.62 16.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' ' C ' ' A' ' 24' ' ' THR . 9.5 m-20 -79.85 -48.88 12.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 23' ' ' ASP . 4.0 p -25.4 -90.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -142.7 45.94 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.69 HD11 ' CE ' ' A' ' 72' ' ' MET . 4.6 mt -117.38 -60.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.716 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -64.98 -49.23 68.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.085 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.0 -12.63 21.52 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.031 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -83.57 -41.5 17.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 26' ' ' ILE . 79.9 t -64.13 -39.28 84.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -46.04 -48.63 16.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.155 . . . . 0.0 110.392 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.14 -38.15 56.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.413 1.071 . . . . 0.0 110.325 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -99.67 36.54 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.69 96.42 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 30' ' ' VAL . . . 169.55 139.77 2.8 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -121.91 106.59 11.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' ' 27' ' ' ARG . 1.5 p -88.2 129.78 38.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.88 106.01 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.927 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -70.91 105.01 3.11 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.53 91.86 3.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.67 135.13 8.29 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.039 ' CD2' HG22 ' A' ' 47' ' ' VAL . 5.8 t80 -143.3 115.87 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 0.791 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.0 OUTLIER -146.71 151.77 37.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.345 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 46.86 24.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 84.96 -40.05 2.99 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.499 HD13 ' CA ' ' A' ' 82' ' ' GLY . 4.6 mm -54.41 100.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.039 HG22 ' CD2' ' A' ' 42' ' ' PHE . 86.1 t -75.58 136.42 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.893 ' HB3' HG11 ' A' ' 86' ' ' VAL . 95.5 mtt180 -89.07 108.28 19.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.927 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -117.53 135.83 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.733 ' HB2' HG23 ' A' ' 86' ' ' VAL . 10.1 ttpp -104.45 64.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -89.09 160.22 17.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' N ' HD22 ' A' ' 51' ' ' LEU . 5.9 pt20 -141.2 139.07 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.86 55.95 1.93 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -80.36 -44.23 19.79 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 0.786 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.38 127.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 108.257 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 58' ' ' CYS . 14.8 t -105.37 5.19 31.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.59 95.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' THR . 21.5 m 65.17 149.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.04 7.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.65 -59.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 m -55.83 -31.27 62.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.08 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 66' ' ' LYS . 2.1 mt -69.83 -62.68 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.285 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.8 mt -61.29 -13.87 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.3 m -89.86 -51.55 5.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.366 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LYS . 3.6 mt -94.73 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -39.95 -65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -66.2 -43.88 85.48 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.504 1.127 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.71 -51.47 10.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.3 mt -61.41 -58.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HG3' HG13 ' A' ' 83' ' ' VAL . 4.3 tt0 -49.28 -54.98 14.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -50.65 -58.27 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.69 ' CE ' HD11 ' A' ' 26' ' ' ILE . 8.5 tmm? -41.76 -51.86 4.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 HD13 ' A' ' 21' ' ' LEU . 7.4 tp -52.31 -50.9 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -63.31 -47.89 80.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 1.2 t80 -48.49 -44.38 35.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.704 ' CB ' HD11 ' A' ' 21' ' ' LEU . 21.0 m-85 -76.3 -56.07 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' ' 79' ' ' GLU . 82.7 mt -113.17 117.79 45.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -4.88 16.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' H ' HG22 ' A' ' 77' ' ' ILE . 3.2 mm-40 -66.49 -67.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HG23 ' A' ' 47' ' ' VAL . 1.3 p -53.1 159.28 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.37 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.9 mt-10 -120.62 -39.64 2.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.12 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.499 ' CA ' HD13 ' A' ' 46' ' ' ILE . . . -165.53 177.12 40.93 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG13 ' HG3' ' A' ' 70' ' ' GLN . 5.3 m -119.69 149.87 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.431 0.724 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -140.27 130.26 24.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' CG ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm0? -70.68 80.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.893 HG11 ' HB3' ' A' ' 48' ' ' ARG . 32.3 m -63.12 145.16 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.06 -65.93 1.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.54 168.87 26.61 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 132.53 15.44 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t 46.18 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 t -67.23 148.41 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.036 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -133.28 122.72 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.001 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.0 p 42.62 87.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.012 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.73 95.02 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -79.0 124.65 28.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 0.781 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -54.92 169.42 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.55 118.43 0.37 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.427 1.079 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.1 m -91.12 -59.48 2.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.411 0.712 . . . . 0.0 110.045 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -176.12 105.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' GLU . 35.4 tt0 59.75 149.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.716 ' OD1' HG11 ' A' ' 15' ' ' VAL . 43.1 m-20 -71.45 162.86 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.12 -178.64 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.46 -27.6 67.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.591 1.182 . . . . 0.0 110.342 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG23 ' HG3' ' A' ' 79' ' ' GLU . 11.8 p -71.42 -45.56 68.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.837 HG22 ' OH ' ' A' ' 39' ' ' TYR . 39.4 t -56.44 -50.0 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.93 23.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 77' ' ' ILE . 3.2 ttm -75.0 -57.87 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.5 mt -51.62 -47.83 37.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' ILE . 15.2 mttt -39.95 -52.1 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.97 -56.38 21.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 HD11 ' HB2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -48.99 -23.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -89.18 -32.77 17.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' ' C ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -79.91 -46.54 16.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 20' ' ' GLU . 18.2 p -26.82 -90.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.0 mtm105 -143.71 46.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.3 mt -118.47 -55.51 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.719 ' HA ' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -70.17 -49.09 18.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.294 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.06 -4.57 15.58 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.3 m -92.7 -32.95 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' ILE . 69.6 t -68.89 -44.44 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 28' ' ' PRO . 17.6 mt-30 -42.88 -54.17 4.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -48.12 -33.82 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -79.64 -67.86 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.18 57.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -167.08 167.94 40.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 38' ' ' ILE . 1.1 p30 -132.5 113.25 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.739 HG23 ' HB3' ' A' ' 51' ' ' LEU . 1.3 p -89.56 125.72 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -137.51 111.18 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.837 ' OH ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -72.11 104.83 3.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' ARG . 1.5 mmt180 -128.01 92.11 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.91 133.3 6.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.654 ' CD2' HG22 ' A' ' 47' ' ' VAL . 6.0 t80 -143.08 110.53 5.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 0.719 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 45' ' ' GLY . 2.4 mm-40 -138.72 151.0 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.43 29.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 43' ' ' GLU . . . 85.17 -42.08 3.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -47.42 100.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.298 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG12 ' CD2' ' A' ' 49' ' ' LEU . 90.6 t -76.56 131.79 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.714 ' HB3' HG11 ' A' ' 86' ' ' VAL . 18.0 mtt180 -88.71 108.98 19.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD13 ' HA ' ' A' ' 39' ' ' TYR . 0.6 OUTLIER -114.37 138.79 50.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HB2' HG23 ' A' ' 86' ' ' VAL . 28.5 ttpt -107.54 64.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -102.32 149.93 23.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.793 ' N ' HD22 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -153.03 123.4 7.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.93 146.78 18.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.3 m -96.56 -37.86 10.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.426 0.721 . . . . 0.0 110.038 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.34 70.87 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 108.309 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 1.109 ' CG2' HD11 ' A' ' 62' ' ' ILE . 65.1 m -130.42 13.06 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 45.1 m -75.1 66.28 1.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 7.6 p -170.23 117.19 0.5 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' ILE . 18.0 Cg_endo -75.07 -66.02 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 64' ' ' THR . 7.2 m -39.46 -61.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.42 -41.02 38.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.109 HD11 ' CG2' ' A' ' 56' ' ' THR . 1.1 mt -67.58 -53.76 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.65 -12.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' SER . 2.9 m -96.16 -49.23 5.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.4 mp -94.7 -66.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' HG23 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -43.48 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.8 t -57.58 -43.62 84.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.24 -46.63 56.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 72' ' ' MET . 14.3 mt -57.36 -59.01 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 69' ' ' ILE . 3.3 tt0 -38.26 -50.49 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -58.58 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' ' 76' ' ' TYR . 18.9 ttp -49.34 -61.53 2.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.147 HD12 HG11 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -40.22 -53.34 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.29 -58.1 6.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -38.3 -55.67 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.716 ' HB2' HD11 ' A' ' 21' ' ' LEU . 16.5 m-85 -71.23 -55.65 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 17' ' ' MET . 39.0 mm -99.49 109.28 54.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -2.92 13.18 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.501 1.79 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG3' HG23 ' A' ' 14' ' ' VAL . 3.1 mm-40 -74.66 -67.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.147 HG11 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -44.98 163.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.8 mt-10 -137.12 -46.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -134.22 -176.1 14.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 110.986 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.11 154.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.375 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -152.85 132.02 12.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.091 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.576 ' HG3' HD13 ' A' ' 51' ' ' LEU . 16.3 tm0? -87.42 81.75 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.723 HG22 ' C ' ' A' ' 49' ' ' LEU . 15.5 m -58.96 146.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.7 169.79 1.13 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.64 -152.6 9.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.074 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 68.65 5.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 53.1 92.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -168.62 146.03 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.975 . . . . . . . . 0 0 . 1 stop_ save_